5LAT
HIF prolyl hydroxylase 2 (PHD2/EGLN1) P317R 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 I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 63 |
Unit cell lengths | 111.182, 111.182, 40.028 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.796 - 1.900 |
R-factor | 0.1512 |
Rwork | 0.150 |
R-free | 0.16590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bqx |
RMSD bond length | 0.006 |
RMSD bond angle | 0.852 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.800 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.088 | 0.354 |
Number of reflections | 22463 | |
<I/σ(I)> | 9.1 | 2.9 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 2.8 | 2.9 |
CC(1/2) | 0.991 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1 M tri-sodium citrate pH 5.6, 20% PEG 4000, 20% 2-propanol |