3M3S
Crystal structure of SARS-COV main protease Asn214Ala mutant with authorize N-terminus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-17 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.495, 96.485, 68.084 |
| Unit cell angles | 90.00, 102.47, 90.00 |
Refinement procedure
| Resolution | 66.478 - 2.300 |
| R-factor | 0.2001 |
| Rwork | 0.196 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB code 2H2Z |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.984 |
| Data reduction software | DENZO |
| Data scaling software | PROTEUM PLUS (PLUS) |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.678 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.111 | 0.427 |
| Number of reflections | 29494 | |
| <I/σ(I)> | 9.78 | 1.95 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 5.73 | 3.22 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 10% PEG 6000, 0.1M Mes , pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
