2WEK
Crystal structure of the human MGC45594 gene product in complex with diclofenac
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.834, 51.572, 75.716 |
| Unit cell angles | 94.61, 91.54, 101.72 |
Refinement procedure
| Resolution | 75.380 - 1.900 |
| R-factor | 0.168 |
| Rwork | 0.165 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c0c |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.516 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0089) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.500 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | 0.460 |
| Number of reflections | 54443 | |
| <I/σ(I)> | 8.3 | 1.8 |
| Completeness [%] | 95.0 | 90 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 25% 1,2 PROPANDIOL, 10% GLYCEROL, 0.1M NA/K-PO4 PH 6.2 |
