5A3U

HIF prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 6-(5-oxo-4-(1H- 1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid

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	2012-10-07
Detector	DECTRIS PILATUS 2M
Spacegroup name	P 32 1 2
Unit cell lengths	154.939, 154.939, 85.401
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.727 - 3.300
R-factor	0.1916
Rwork	0.202
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bqy
RMSD bond length	0.007
RMSD bond angle	0.975
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.730	3.480
High resolution limit [Å]	3.300	3.300
Rmerge	0.220	0.880
Number of reflections	17598
<I/σ(I)>	6.7	1.9
Completeness [%]	99.2	99.9
Redundancy	6.1	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.6 M SODIUM CITRATE/CITRIC ACID PH 6.5, SITTING DROP, 293K