5OX6

HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Vadadustat

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	2017-06-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97623
Spacegroup name	P 63
Unit cell lengths	111.088, 111.088, 39.971
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.362 - 1.990
R-factor	0.1759
Rwork	0.174
R-free	0.20530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bqx
RMSD bond length	0.010
RMSD bond angle	1.027
Data reduction software	HKL-2000 (706E)
Data scaling software	HKL-2000 (706E)
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.362	2.060
High resolution limit [Å]	1.990	1.990
Rmerge	0.108	1.076
Rpim	0.049	0.520
Number of reflections	19366	1883
<I/σ(I)>	14.8	1.5
Completeness [%]	98.2	98
Redundancy	6.5	6.4
CC(1/2)	0.996	0.438

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, 25% w/v Polyethylene glycol 4000, Sitting drop (300 nl), protein-to-well ratio, 2:1