5FDQ
Murine COX-2 S530T mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9777 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 120.163, 132.500, 180.488 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.958 - 1.900 |
| R-factor | 0.1548 |
| Rwork | 0.153 |
| R-free | 0.19090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | truncated 3HS5 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.382 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 1.900 |
| Number of reflections | 112453 |
| <I/σ(I)> | 10.6 |
| Completeness [%] | 99.6 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | PAA-5100, HEPES(7.5), magnesium chloride, beta-octyl glucoside |
