7CBT
The crystal structure of SARS-CoV-2 main protease in complex with GC376
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-X |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-05-03 |
Detector | DECTRIS PILATUS3 R 200K-A |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.123, 99.746, 60.364 |
Unit cell angles | 90.00, 108.63, 90.00 |
Refinement procedure
Resolution | 28.151 - 2.346 |
R-factor | 0.2156 |
Rwork | 0.209 |
R-free | 0.29200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6y2e |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.430 |
High resolution limit [Å] | 2.346 | 2.350 |
Number of reflections | 25910 | 25881 |
<I/σ(I)> | 2.625 | |
Completeness [%] | 99.9 | |
Redundancy | 5 | |
CC(1/2) | 0.859 | 0.859 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Sodium malonate pH 6.0, 12% w/v Polyethylene glycol 3,350 |