5LBB
HIF prolyl hydroxylase 2 (PHD2/EGLN1) R396T 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 I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 63 |
Unit cell lengths | 110.199, 110.199, 39.717 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.071 - 1.700 |
R-factor | 0.1534 |
Rwork | 0.152 |
R-free | 0.17810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bqx |
RMSD bond length | 0.017 |
RMSD bond angle | 1.451 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.670 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.038 | 0.701 |
Number of reflections | 29903 | |
<I/σ(I)> | 14.5 | 2.2 |
Completeness [%] | 97.8 | 97.6 |
Redundancy | 3.3 | 3.4 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES pH 6.5, 2.1 M ammonium sulphate, 2% v/v dioxane, 0.002 M MnCl2 |