4BQX

HIF prolyl hydroxylase 2 (PHD2/ EGLN1) 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	109.600, 109.600, 39.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.800 - 1.790
R-factor	0.211
Rwork	0.211
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g19
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.800	1.890
High resolution limit [Å]	1.790	1.790
Rmerge	0.070	0.860
Number of reflections	25470
<I/σ(I)>	11.3	2.1
Completeness [%]	99.0	99.9
Redundancy	5.9	5.9

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