3VB6
Crystal structure of SARS-CoV 3C-like protease with C6Z
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 | 2009-10-14 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.096, 96.435, 67.694 |
| Unit cell angles | 90.00, 103.48, 90.00 |
Refinement procedure
| Resolution | 28.986 - 2.500 |
| R-factor | 0.1933 |
| Rwork | 0.188 |
| R-free | 0.24530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q6g |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.129 |
| 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] | 29.610 | 29.610 | 2.640 |
| High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
| Number of reflections | 22586 | ||
| Completeness [%] | 99.9 | 98.2 | 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 |
