3VB5
Crystal structure of SARS-CoV 3C-like protease with C4Z
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-10-12 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.270, 96.396, 67.703 |
Unit cell angles | 90.00, 103.26, 90.00 |
Refinement procedure
Resolution | 26.276 - 1.950 |
R-factor | 0.2057 |
Rwork | 0.204 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q6g |
RMSD bond length | 0.007 |
RMSD bond angle | 1.203 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.200 | 27.200 | 2.060 |
High resolution limit [Å] | 1.950 | 6.170 | 1.950 |
Number of reflections | 47614 | ||
Completeness [%] | 100.0 | 98.9 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289 | 8.5% PEG 6000, 0.1M MES, 1mM DTT, 1mM EDTA, 3% DMSO, 10% Glycerol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |