7ZEJ
Crystal structure of the human MGC45594 gene product in complex with celecoxib.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.830, 51.410, 75.880 |
| Unit cell angles | 93.86, 91.48, 101.29 |
Refinement procedure
| Resolution | 16.760 - 1.790 |
| Rwork | 0.185 |
| R-free | 0.23370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c0c |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.580 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.760 | 1.890 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.052 | 0.226 |
| Number of reflections | 101296 | 6992 |
| <I/σ(I)> | 8.3 | |
| Completeness [%] | 85.8 | |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.5M NA MALONATE pH 7.0, 0.25W/V JEFFAMINE ED 2001 pH 7.0 HEPES pH 8.0 |
