6QGV

HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with a Spiro[4.5]decanone inhibitor (JPHM-2-167)

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	2015-11-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	H 3 2
Unit cell lengths	120.065, 120.065, 86.563
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.032 - 1.400
R-factor	0.1577
Rwork	0.157
R-free	0.17220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bqx
RMSD bond length	0.014
RMSD bond angle	1.397
Data reduction software	DIALS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.032	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.060	1.646
Rmeas	0.062	1.692
Rpim	0.014	0.389
Number of reflections	47060	6828
<I/σ(I)>	19	2.1
Completeness [%]	100.0	100
Redundancy	19.2	18.7
CC(1/2)	1.000	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	2.0 M Ammonium sulfate, 5% v/v 2-propanol