4YL3
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 | 2009-03-12 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.91986 |
| Spacegroup name | H 3 |
| Unit cell lengths | 76.434, 76.434, 123.264 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.410 |
| R-factor | 0.16729 |
| Rwork | 0.166 |
| R-free | 0.18252 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.027 |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 41.100 |
| High resolution limit [Å] | 1.410 |
| Number of reflections | 50730 |
| <I/σ(I)> | 11 |
| Completeness [%] | 98.9 |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 100mM Tris HCl pH 8.5 32.5% PEG 1K |
