5A3U
HIF prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 6-(5-oxo-4-(1H- 1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-07 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 154.939, 154.939, 85.401 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.727 - 3.300 |
| R-factor | 0.1916 |
| Rwork | 0.202 |
| R-free | 0.22660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bqy |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.975 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.730 | 3.480 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.220 | 0.880 |
| Number of reflections | 17598 | |
| <I/σ(I)> | 6.7 | 1.9 |
| Completeness [%] | 99.2 | 99.9 |
| Redundancy | 6.1 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.6 M SODIUM CITRATE/CITRIC ACID PH 6.5, SITTING DROP, 293K |
