2Z9G
Complex structure of SARS-CoV 3C-like protease with PMA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-12-30 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.280, 81.930, 53.450 |
| Unit cell angles | 90.00, 104.99, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.860 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z1i |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.930 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.039 | 0.228 |
| Number of reflections | 37042 | |
| <I/σ(I)> | 43.4 | 5.4 |
| Completeness [%] | 97.6 | 81.2 |
| Redundancy | 3.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 15% PEG 6000, 4-14% Dimethyl sulfoxide, 0.1mM Dithiothreitol, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
