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 |