5T37
crystal structure of mPGES-1 bound to inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 78.15 |
| Detector technology | CCD |
| Collection date | 2010-11-01 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | .97856 |
| Spacegroup name | H 3 |
| Unit cell lengths | 76.240, 76.240, 124.098 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.761 |
| R-factor | 0.16793 |
| Rwork | 0.167 |
| R-free | 0.18532 |
| Structure solution method | MIR |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.872 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.290 | 1.860 |
| High resolution limit [Å] | 1.760 | 1.780 |
| Rmerge | 0.473 | |
| Number of reflections | 26611 | |
| <I/σ(I)> | 28.6 | 2.6 |
| Completeness [%] | 99.9 | 99.3 |
| Redundancy | 5.5 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294.15 | 0.1M tris pH 8.2 28% PEG 1K |
