4UWD
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) D315E VARIANT in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-17 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 63 |
| Unit cell lengths | 110.520, 110.520, 39.380 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.857 - 1.721 |
| R-factor | 0.1507 |
| Rwork | 0.149 |
| R-free | 0.17350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bqy |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.216 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.860 | 1.770 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.040 | 0.670 |
| Number of reflections | 29428 | |
| <I/σ(I)> | 20.4 | 3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.6 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M MES PH6.5, 1.7M AMMONIUM SULFATE, 1% DIOXANE, 0.002M MNCL2, SITTING DROP, 293K |
