5IKR
The Structure of Mefenamic Acid Bound to Human Cyclooxygenase-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 127.672, 149.694, 188.391 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.995 - 2.342 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.21110 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.840 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 2.350 |
| Number of reflections | 75533 |
| <I/σ(I)> | 30.1 |
| Completeness [%] | 99.3 |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | PEG 400, 100mM HEPES, 300mM Ammonium Phosphate |
