4YL1
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 | 2009-04-02 |
Detector | RAYONIX MX225HE |
Wavelength(s) | .91986 |
Spacegroup name | H 3 |
Unit cell lengths | 76.585, 76.585, 123.617 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.410 |
R-factor | 0.16334 |
Rwork | 0.163 |
R-free | 0.17460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.990 |
Data reduction software | MOSFLM |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 32.000 |
High resolution limit [Å] | 1.410 |
Number of reflections | 51297 |
<I/σ(I)> | 11.6 |
Completeness [%] | 99.4 |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 100mM Tris HCl pH 8.5 + 35% PEG 1K |