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Spin-Polarized States in the Electronic Structure of Pt(111) and Graphene/Pt(111) Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 A. A. Gogina, A. A. Rybkina, A. V. Tarasov, A. M. Shikin, A. G. Rybkin
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The Effect of Self-Assembly of Nanoparticles under a Plasma Discharge in a Capillary Electrode Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 A. M. Yafyasov, V. B. Bogevolnov, V. Yu. Mikhailovskii
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Electron-Beam-Stimulated Formation of Luminescent Carbon Complexes in Hexagonal Boron Nitride Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 Yu. V. Petrov, O. F. Vyvenko, O. A. Gogina, S. Kovalchuk, K. Bolotin
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Field Ion Sources for Research and Modification of the Structure of Amorphous and Crystalline Materials Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 Yu. V. Petrov, O. F. Vyvenko
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The Structure of Domain and Antiphase Boundaries in κ-Phase of Gallium Oxide Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 O. F. Vyvenko, A. S. Bondarenko, E. V. Ubyivovk, S. V. Shapenkov, A. I. Pechnikov, V. I. Nikolaev, S. I. Stepanov
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Electronic Structure of the [Cu(Salen)] Complex and the Chemical State of Its Atoms Studied by Photoelectron Spectroscopy and Quantum-Chemical Calculations Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 P. M. Korusenko, A. V. Koroleva, A. A. Vereshchagin, K. P. Katin, O. V. Petrova, D. V. Sivkov, O. V. Levin, A. S. Vinogradov
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Manifestation of Hydride Phase Transformations in the Hydrogen Permeability of Polycrystalline Titanium and Zirconium Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 E. A. Denisov, V. A. Dmitriev
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Formation of a Polar Ferroelectric Phase in HFO2 Films Depending on Annealing Conditions and Chemical Properties of Impurities Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 A. V. Bugaev, A. S. Konashuk, E. O. Filatova
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Adsorption of Molecular Oxygen on N-graphene Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 K. A. Bokai, O. Yu. Vilkov, D. Yu. Usachov
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Study of the Effect of Si and Be Barrier Layers on Crystallization of Cr/Sc Multilayer X-ray Mirror Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 A. V. Solomonov, S. S. Sakhonenkov, E. O. Filatova
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Specific Features of the Crystal Structure of Calcium Hydroxyapatite in Native Bone Tissue Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 A. A. Pavlychev, X. O. Brykalova, A. V. Korneev, A. A. Cherny, N. N. Kornilov
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Investigation of Surface Magnetism in Systems Based on MnBi2Te4 Using the Magneto-Optical Kerr Effect Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 D. A. Glazkova, D. A. Estyunin, A. S. Tarasov, N. N. Kosyrev, V. A. Komarov, G. S. Patrin, V. A. Golyashov, O. E. Tereshchenko, K. A. Kokh, A. V. Koroleva, A. M. Shikin
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Synthesis of a Thin Metal Hydride Mg2NiH4 Film on a Nickel Substrate Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 A. P. Baraban, A. P. Voyt, I. E. Gabis, D. I. Elets, A. A. Levin, D. A. Zaytsev
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Luminescence of Oxide Films Obtained by Atomic Layer Deposition Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 A. P. Baraban, V. A. Dmitriev, A. V. Drozd, Yu. V. Petrov, I. E. Gabis, A. A. Selivanov
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Structure and Electrical Conductivity of Thin AlN Films on Si Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 N. V. Bazlov, O. F. Vyvenko, N. V. Niyazova, I. M. Kotina, M. V. Trushin, A. S. Bondarenko
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Density of Unoccupied Electronic States of the Ultrathin Layers of Dibromo-Bianthracene on the Surface of Layer-by-Layer Grown ZnO Crystallogr. Rep. (IF 0.7) Pub Date : 2024-04-16 A. S. Komolov, E. F. Lazneva, V. S. Sobolev, S. A. Pshenichnyuk, N. L. Asfandiarov, E. V. Zhizhin, D. A. Pudikov, E. A. Dubov, I. A. Pronin, F. Dj. Akbarova, U. B. Sharopov
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Minerological Crystallography: VIII. Sulfates Crystallogr. Rep. (IF 0.7) Pub Date : 2024-03-19 D. Yu. Pushcharovsky
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Mineralogical Crystallography: III. Simple Nonmetallic Substances Crystallogr. Rep. (IF 0.7) Pub Date : 2024-03-19 D. Yu. Pushcharovsky
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Influence of Electromagnetic Field Power and Temperature of Inductively Coupled Plasma Etching on the Uniformity of a Patterned Sapphire Substrate Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-06 G. Q. Xie, G. Jin, H. Y. Wang
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Prototropic Tautomerism of o-Oxyazomethines. Crystal Structure of (E)-1-(((Pyridin-3-ylmethyl)iminio)methyl)naphthalen-2-olate Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-06 V. S. Sergienko, V. L. Abramenko, M. D. Surazhskaya, A. V. Churakov
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On the Dielectric Hysteresis Loops of a Uniaxial Ferroelectric Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-06 E. D. Yakushkin
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Determination of Optimal Directions of the Wave Vector of a Phase Holographic Grating in Cubic Photorefractive Crystal Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-06 V. N. Naunyka
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Synthesis and Ionic Conductivity of Fluoride–Oxide Composites in NdF3–Nd2O3 and NdF3–SrF2–Nd2O3 Systems Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-06 N. I. Sorokin, I. I. Buchinskaya, D. N. Karimov
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Determination of the Parameters of Controlled Laser Thermal Cleavage of Crystalline Silicon Using Regression and Neural Network Models Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-06 Yu. V. Nikitjuk, A. N. Serdyukov
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Effect of Sulfur Deficiency on the Structural and Superstructural Features of Ga1.29In3.38S7 Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-06 M. G. Kyazumov, S. M. Rzayeva, A. S. Avilov
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Crystal Structure of Supramolecular Naphthalene Dimer Complex within β-Cyclodextrin Dimer Emitting Excimer Fluorescence: Molecular-Dynamic Simulation and Quantum Chemical Calculations Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-06 V. G. Avakyan, S. V. Titov
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Application of Protein Crystallography and Machine Learning Data for the Development of a Peptide Vaccine against African Swine Fever Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-05 A. S. Ivanovsky, I. A. Kolesnikov, Yu. V. Kordonskaya, A. V. Ermakov, M. A. Marchenkova, V. I. Timofeev, Yu. V. Pisarevsky, Yu. A. Dyakova, M. V. Kovalchuk
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Application of the Crystal Structure of the SARS-CoV-2 Spike Protein for the Development of a Peptide Vaccine against Virus Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-05 A. S. Ivanovsky, I. A. Kolesnikov, Yu. V. Kordonskaya, A. V. Ermakov, M. A. Marchenkova, V. I. Timofeev, Yu. V. Pisarevsky, Yu. A. Dyakova, M. V. Kovalchuk
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Structural Reorganization of Cell Membrane Models Caused by the Anticancer Antibiotic Doxorubicin Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-05 N. N. Novikova, M. V. Kovalchuk, A. V. Rogachev, Yu. N. Malakhova, J. O. Kotova, S. E. Gelperina, S. N. Yakunin
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Preparation and Crystallization of Picornain 3C of Rhinovirus A28 Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-05 A. E. Tishin, A. V. Gladysheva, L. A. Pyatavina, S. E. Olkin, A. A. Gladysheva, I. R. Imatdionov, A. V. Vlaskina, A. Yu. Nikolaeva, V. R. Samygina, A. P. Agafonov
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Search for New Potential T-Cell and B-Cell Epitopes in the Spike Protein of SARS-CoV-2 Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-05 I. A. Kolesnikov, V. I. Timofeev, M. V. Nikolenko, A. V. Ermakov, A. S. Ivanovsky, Yu. A. Dyakova, Yu. V. Pisarevsky, M. V. Kovalchuk
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Improvement of the Diffraction Properties of Thiocyanate Dehydrogenase Crystals Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-05 L. A. Varfolomeeva, K. M. Polyakov, A. S. Komolov, T. V. Rakitina, N. I. Dergousova, P. V. Dorovatovskii, K. M. Boyko, T. V. Tikhonova, V. O. Popov
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Comparative Structural Investigation of Histone-Like HU Proteins by Small-Angle X-ray Scattering Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-05 M. V. Petoukhov, T. V. Rakitina, Yu. K. Agapova, D. E. Petrenko, P. V. Konarev, V. V. Britikov, E. V. Britikova, E. V. Bocharov, E. V. Shtykova
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3D Structure of D-Аmino Acid Тransaminase from Aminobacterium colombiense in Complex with D-Cycloserine Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-05 S. A. Shilova, I. O. Matyuta, E. Y. Bezsudnova, M. E. Minyaev, A. Y. Nikolaeva, V. O. Popov, K. M. Boyko
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Preliminary X-ray Diffraction Analysis of Purine Nucleoside Phosphorylase from the Haloalkaliphilic Bacterium Halomonas chromatireducens Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-05 T. N. Safonova, A. N. Antipov, V. P. Veiko, N. N. Mordkovich, N. A. Okorokova, P. V. Dorovatovskii, K. M. Polyakov
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Electron Microscopy Study of the Structure of the Sup35 Prion from Yeast Saccharomyces cerevisiae Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-05 A. D. Burtseva, A. V. Moiseenko, T. N. Baymukhametov, A. A. Dergalev, K. M. Boyko, V. V. Kushnirov
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Structural Basis for Interactions between Influenza A Virus M2 Proton Channel and Adamantane-Based Antiviral Drugs Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-05 A. A. Lashkov, T. M. Garaev, S. V. Rubinsky, V. R. Samygina
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Preliminary X-ray Study of Crystals Obtained by Co-Crystallization of Hypoxanthine‒Guanine Phosphoribosyltransferase from Escherichia coli and Pyrazine-2-Carboxamide Derivatives Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-05 Y. A. Abramchik, E. A. Zayats, V. I. Timofeev, M. B. Shevtsov, M. A. Kostromina, I. V. Fateev, D. O. Yurovskaya, A. A. Karanov, I. D. Konstantinova, I. P. Kuranova, R. S. Esipov
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Determination of the Shape of a Helix Particle Based on Small-Angle X-ray Scattering Data: Modification of the “Simulated Annealing” Algorithm Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-05 V. A. Grigorev, P. V. Konarev, V. V. Volkov
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The Structure of the Hfq Protein from Chromobacterium haemolyticum Revealed a New Variant of Regulation of RNA Binding with the Protein Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-05 N. V. Lekontseva, A. D. Nikulin
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Structural Study of the Light-Harvesting Complex LH2 from the Purple Sulfur Bacteria Ectothiorhodospira haloalkaliphila by Cryoelectronic Microscopy Crystallogr. Rep. (IF 0.7) Pub Date : 2024-02-05 A. D. Burtseva, T. N. Baymukhametov, I. O. Ilyasov, M. A. Bolshakov, A. A. Moskalenko, K. M. Boyko, A. A. Ashikhmin
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Breaking of the Cubic Symmetry in Millimeter-Size SrTiO3 Crystals: ESR Manifestations Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-04 B. F. Gabbasov, I. N. Gracheva, S. I. Nikitin, V. A. Trepakov, R. V. Yusupov
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Harmonic Analysis of the Polarization Reversal of the Rb2ZnCl4 Crystal in the Incommensurate Phase Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-04 V. V. Gorbatenko, B. N. Prasolov, S. A. Gorbatenko, N. V. Datsenko
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Influence of Impurities on the Energy Structure of Electrons in LiNbO3 Crystals Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-04 R. M. Magomadov, S. N. Tsebaev
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Structure and Properties of K2Ba(NO2)4 Ferroelastic from First Principles Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-04 A. Yu. Belov, L. F. Kirpichnikova
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Magnetically Induced Effects in Ferroelectric Triglycine Sulfate Crystals with Chromium Impurity Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-04 E. S. Ivanova, E. A. Petrzhik, A. P. Eremeev, R. V. Gainutdinov, A. K. Lashkova, A. G. Ivanova, T. R. Volk
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Calculation of the Phonon Spectrum of PbMnBO4 Crystal Using Density Functional Theory Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-04 S. N. Krylova
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The Role of Chemical Pressure in the Formation of the Structure and Barocaloric Properties of Complex Fluorides and Oxyfluorides Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-04 I. N. Flerov, M. V. Gorev, E. V. Bogdanov, N. M. Laptash
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Neutron Scattering in Studies of Ferroelectrics, Ferroelastics, and Superprotonics: Structure, Microstructure, and Phase Transitions Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-04 A. M. Balagurov, A. V. Belushkin, A. I. Beskrovnyi, B. N. Savenko
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Low-Frequency Internal Friction in Crystals of the Potassium Dihydrogen Phosphate Family Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-04 S. A. Gridnev
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Thermally Induced Pulsed Processes in Strontium Barium Niobate Single Crystals Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-04 N. N. Bolshakova, A. V. Burtsev, B. B. Pedko, E. M. Semenova
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Relaxor Ferroelectric PbNi1/3Ta2/3O3: Synthesis, Structure, Raman Spectra, and Dielectric Susceptibility Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-04 A. A. Levin, T. A. Smirnova, E. D. Obozova, V. G. Zalesskii, A. I. Fedoseev, S. G. Lushnikov
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Acousto-Optic Interaction in Biaxial Crystals Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-04 V. Ya. Molchanov, M. I. Kupreyichik, N. F. Naumenko, A. I. Chizhikov, K. B. Yushkov, S. I. Chizhikov
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Minerological Crystallography: V. Oxides and Hydroxides Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-01
Abstract The main structure types of the large group of oxide and hydroxide minerals are characterized. A particular attention is paid to the new data on the structural transformations of high-pressure minerals (which are of geophysical interest) occurring in the deep interior of Earth. These minerals include (Fe,Ni) oxides with ilmenite and post-spinel phase structures, silica polymorphs, etc. The
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Synthesis of Nanocrystalline CdS:Sn Film and Study on Its Optical, Structural, and Electrical Characteristics Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-01
Abstract A film of Cd0.8Sn0.2S (CdS:Sn) was deposited on a glass slide employing a screen printing setup and was sintered in air at 350°C. The structure, surface morphology, composition, optical, photoluminescence and electrical properties of the film were studied. X-ray diffraction analysis showed the hexagonal structure of the film with the predominant growth of the (101) plane. The composition of
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Crystal Structure of fac-Tris(pivaloylcyanoximato)Cobalt(III), [Co(PiCO)3] Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-01
Abstract The absolute configuration of the title compound, fac-tris(pivaloylcyanoximato)cobalt(III) [Co(PiCO)3], was determined by single-crystal X-ray diffraction, while the solution state was analyzed in detail by NMR and UV–Vis spectroscopy. The complex crystallizes as a fac-isomer in the monoclinic crystal system with space group P21/c and unit cell parameters a = 7.085(1), b = 12.067(2), c = 30
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Decomposition of Small-Angle Scattering Profiles from Two Conformational States of 3-Isopropylmalate Dehydrogenase Using Evolving Factor Analysis Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-01
Abstract The separation of two conformational states of 3-isopropylmalate dehydrogenase molecules from Thermus thermophilus in solution on a gel chromatographic column, attached to a sample cell of a small-angle X-ray scattering synchrotron beamline, has been simulated. The scattering intensity profiles from the open and closed forms of the enzyme molecules were restored by evolving factor analysis
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Study of the Precrystallization Solution of Lysozyme by Accelerated Molecular Dynamics Simulation Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-01
Abstract The behavior of a dimer isolated from the crystal structure of tetragonal lysozyme has been simulated using the accelerated molecular dynamics method. The simulation time was 240 ns. The simulation data are compared with the data obtained previously using classical molecular dynamics. It is shown that the dimer studied is stable in both experiments, but the accelerated molecular dynamics method
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Effect of Reversion Back to Cys11 on the Structure and Function of S11C Cys-free Nt.BspD6I Crystallogr. Rep. (IF 0.7) Pub Date : 2023-12-01
Abstract The three-dimensional structure of recombinant nicking endonuclease S11C Cys-free Nt.BspD6I was determined at 1.85 Å resolution. Nickase S11C Cys-free Nt.BspD6I was produced by the reversion back to Cys11 in Cys-free Nt.BspD6I using site-directed mutagenesis. An analysis of the crystal structure of nickase S11C Cys-free Nt.BspD6I demonstrated that the reversion back to Cys11 induces significant