7VFB
the complex of SARS-CoV2 3cl and NB2B4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 97 |
Detector technology | PIXEL |
Collection date | 2021-07-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.978 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 254.605, 33.492, 48.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.210 - 2.000 |
R-factor | 0.2369 |
Rwork | 0.235 |
R-free | 0.26360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6lu7 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.604 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.210 | 2.071 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 28381 | 2311 |
<I/σ(I)> | 2 | |
Completeness [%] | 96.5 | |
Redundancy | 9.9 | |
CC(1/2) | 0.990 | 0.980 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG6000, potassium phosphate |