6VL4
Crystal Structure of mPGES-1 bound to DG-031
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-30 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | H 3 |
| Unit cell lengths | 76.417, 76.417, 123.784 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 17.600 - 1.400 |
| R-factor | 0.1398 |
| Rwork | 0.140 |
| R-free | 0.14500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | mPGES |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.002 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.190 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 52754 | 7803 |
| <I/σ(I)> | 10.3 | 2.4 |
| Completeness [%] | 99.3 | |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.2 | 298 | 100mM Tris HCl pH 8.2, 29% PEG 1K, 1mM DG-031 |
