7ORV
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239
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 | 107.236, 107.236, 107.236 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.660 - 1.950 |
R-factor | 0.1719 |
Rwork | 0.170 |
R-free | 0.20200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6zpe |
RMSD bond length | 0.005 |
RMSD bond angle | 1.335 |
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] | 28.660 | 28.660 | 2.000 |
High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
Rmerge | 0.072 | 0.047 | 1.015 |
Rmeas | 0.077 | 0.051 | 1.068 |
Rpim | 0.024 | 0.019 | 0.333 |
Total number of observations | 973 | 10876 | |
Number of reflections | 15070 | 138 | 1060 |
<I/σ(I)> | 14.8 | 28.6 | 1.6 |
Completeness [%] | 99.8 | 80.1 | 100 |
Redundancy | 9.9 | 7.1 | 10.3 |
CC(1/2) | 0.999 | 0.997 | 0.752 |
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. |