5BQG
Crystal Structure of mPGES-1 Bound to an 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 | 2014-10-14 |
Detector | RAYONIX MX225HE |
Wavelength(s) | .97931 |
Spacegroup name | H 3 |
Unit cell lengths | 77.472, 77.472, 123.123 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.980 - 1.436 |
R-factor | 0.15091 |
Rwork | 0.150 |
R-free | 0.16881 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.968 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.470 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.480 | |
Number of reflections | 51342 | |
<I/σ(I)> | 7.7 | 2.8 |
Completeness [%] | 99.6 | 100 |
Redundancy | 5.6 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 100mM Tris HCl pH 9.2 + 32% PEG 1K |