5LBC
HIF prolyl hydroxylase 2 (PHD2/EGLN1) I280V/R281L/I292V variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/FG2216)
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 | 2011-09-17 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9173 |
Spacegroup name | P 63 |
Unit cell lengths | 111.006, 111.006, 40.283 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.067 - 1.816 |
R-factor | 0.1589 |
Rwork | 0.158 |
R-free | 0.18090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bqx |
RMSD bond length | 0.006 |
RMSD bond angle | 0.950 |
Data reduction software | HKL-2000 (706E) |
Data scaling software | HKL-2000 (706E) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.067 | 1.870 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.092 | 0.729 |
Number of reflections | 25773 | |
<I/σ(I)> | 17.1 | 2 |
Completeness [%] | 99.5 | 98.5 |
Redundancy | 5.3 | 3.2 |
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M MES pH 6.5, 1.8 M ammonium sulphate, 5% v/v dioxane, 0.002 M MnCl2 |