5TL9
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 | 2014-12-03 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | H 3 |
| Unit cell lengths | 77.318, 77.318, 122.954 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.540 - 1.200 |
| R-factor | 0.1528 |
| Rwork | 0.152 |
| R-free | 0.16801 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.114 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.540 | 1.260 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.650 | |
| Number of reflections | 80353 | |
| <I/σ(I)> | 7.6 | |
| Completeness [%] | 98.6 | 93.9 |
| Redundancy | 5.4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294.15 | 0.1M TRIS pH 8.9 28% PEG 1K |
