5T36
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 | 2013-07-30 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | H 3 |
| Unit cell lengths | 77.009, 77.009, 123.240 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.510 - 1.400 |
| R-factor | 0.18415 |
| Rwork | 0.184 |
| R-free | 0.19483 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.882 |
| 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] | 19.510 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.440 | |
| Number of reflections | 47237 | |
| <I/σ(I)> | 9.7 | 1.8 |
| Completeness [%] | 92.7 | 67.1 |
| Redundancy | 4.8 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294.15 | 0.1M TRIS pH 8.2 28% PEG 1K |
