2BX3
Crystal Structure of SARS Coronavirus Main Proteinase (P43212)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-11-11 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 69.675, 69.675, 100.197 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.800 - 2.000 |
| R-factor | 0.18 |
| Rwork | 0.175 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uj1 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.718 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.820 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.150 | 0.560 |
| Number of reflections | 17333 | |
| <I/σ(I)> | 20.6 | 4.9 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 15.6 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.9 | 15% PEG6000, 0.1M MES PH 5.9, 3% MPD |
