4YL1
Crystal Structures of mPGES-1 Inhibitor Complexes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-04-02 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | .91986 |
| Spacegroup name | H 3 |
| Unit cell lengths | 76.585, 76.585, 123.617 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.410 |
| R-factor | 0.16334 |
| Rwork | 0.163 |
| R-free | 0.17460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.990 |
| Data reduction software | MOSFLM |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 32.000 |
| High resolution limit [Å] | 1.410 |
| Number of reflections | 51297 |
| <I/σ(I)> | 11.6 |
| Completeness [%] | 99.4 |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 100mM Tris HCl pH 8.5 + 35% PEG 1K |
