6ST3

HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 4-hydroxy-N-(4-phenoxybenzyl)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide

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	2015-10-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 21 2 21
Unit cell lengths	72.870, 80.580, 83.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.123 - 2.426
R-factor	0.1936
Rwork	0.192
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bqx
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	83.920	83.920	2.520
High resolution limit [Å]	2.426	9.080	2.430
Rmerge	0.144	0.050	0.974
Rmeas	0.182	0.064	1.206
Rpim	0.089	0.033	0.586
Number of reflections	19127	424	1978
<I/σ(I)>	6.9		1.5
Completeness [%]	99.3	98.5	99.5
Redundancy	3.8	3.5	3.8
CC(1/2)	0.990	0.990	0.548

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 30% PEG 4000, Sitting drop (300 nl), protein-to-well ratio, 1:2, 293K