2QC2
Crystal structure of Severe Acute Respiratory Syndrome (SARS) 3C-like protease Asn214Ala mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-05-04 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.286, 96.516, 67.650 |
| Unit cell angles | 90.00, 103.28, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.700 |
| Rwork | 0.206 |
| R-free | 0.28100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uj1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.373 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.750 |
| High resolution limit [Å] | 2.660 | 5.710 | 2.660 |
| Rmerge | 0.042 | 0.026 | 0.161 |
| Number of reflections | 18366 | ||
| <I/σ(I)> | 25.5 | ||
| Completeness [%] | 99.5 | 99.2 | 97 |
| Redundancy | 3.5 | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 30% PEG 400, 0.1 M MES (pH 6.0), Vapor diffusion, Hanging drop, temperature 298K, VAPOR DIFFUSION, HANGING DROP |
