6QGV
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with a Spiro[4.5]decanone inhibitor (JPHM-2-167)
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 | 2015-11-22 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97625 |
Spacegroup name | H 3 2 |
Unit cell lengths | 120.065, 120.065, 86.563 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 60.032 - 1.400 |
R-factor | 0.1577 |
Rwork | 0.157 |
R-free | 0.17220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bqx |
RMSD bond length | 0.014 |
RMSD bond angle | 1.397 |
Data reduction software | DIALS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.032 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.060 | 1.646 |
Rmeas | 0.062 | 1.692 |
Rpim | 0.014 | 0.389 |
Number of reflections | 47060 | 6828 |
<I/σ(I)> | 19 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 19.2 | 18.7 |
CC(1/2) | 1.000 | 0.754 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 2.0 M Ammonium sulfate, 5% v/v 2-propanol |