7ORW
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9788 |
Spacegroup name | I 21 3 |
Unit cell lengths | 107.771, 107.771, 107.771 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.940 - 1.950 |
R-factor | 0.1761 |
Rwork | 0.174 |
R-free | 0.20860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6zpe |
RMSD bond length | 0.006 |
RMSD bond angle | 1.313 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 76.210 | 76.210 | 2.000 |
High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
Rmerge | 0.075 | 0.052 | 1.325 |
Rmeas | 0.080 | 0.057 | 1.420 |
Rpim | 0.028 | 0.022 | 0.506 |
Total number of observations | 129317 | 1208 | 8387 |
Number of reflections | 15364 | 178 | 1083 |
<I/σ(I)> | 13.5 | 31.2 | 1.5 |
Completeness [%] | 100.0 | 98.9 | 100 |
Redundancy | 8.4 | 6.8 | 7.7 |
CC(1/2) | 0.998 | 0.993 | 0.567 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | Protein - 63 mg/mL in 50 mM Tris/HCl pH 8.0, 150 mM NaCl; precipitant (reservoir) - 0.1 M Bis-Tris/HCl pH 6.7, 2.4 M NaCl; 1:1, 1:2, 2:1 protein-to-precipitant ratios, 300 nL total drop volume. Soaking: reservoir solution, supplemented to 50 mM ligand, 5% (v/v) DMSO, 15% (v/v) glycerol; 2 h, 293K. |