7T9W
Crystal structure of the Nsp3 bSM (Betacoronavirus-Specific Marker) domain from SARS-CoV-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2021-12-09 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 |
Unit cell lengths | 157.462, 157.462, 79.619 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.420 - 2.200 |
R-factor | 0.2627 |
Rwork | 0.262 |
R-free | 0.31620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Alphafold2 model |
RMSD bond length | 0.003 |
RMSD bond angle | 0.535 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.104 | 0.893 |
Rpim | 0.040 | 0.389 |
Number of reflections | 98708 | 4940 |
<I/σ(I)> | 17.4 | 1.23 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 7.5 | 6.1 |
CC(1/2) | 0.992 | 0.658 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 40% tacsimate, 0.5 M MES pH 6 |