2Z94
Complex structure of SARS-CoV 3C-like protease with TDT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-12-20 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.511, 81.548, 53.334 |
| Unit cell angles | 90.00, 105.13, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.780 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.22400 |
| 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 | 1.840 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.049 | 0.487 |
| Number of reflections | 41723 | |
| <I/σ(I)> | 15.6 | 2 |
| Completeness [%] | 97.1 | 86.5 |
| Redundancy | 3.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 15% PEG 6000, 4~15%Dimethyl sulfoxide, 0.1mM Dithiothreitol, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
