6ZBN

HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in complex with tert-butyl 6-(5-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl)nicotinate (IOX4)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-26
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	77.062, 75.472, 127.555
Unit cell angles	90.00, 95.04, 90.00

Refinement procedure

Resolution	19.970 - 2.010
R-factor	0.2064
Rwork	0.205
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hqr
Data reduction software	xia2 (0.5.900)
Data scaling software	DIALS (1.14.11)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.19.1-4122-000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.760	76.820	2.040
High resolution limit [Å]	2.010	5.450	2.010
Rmeas	0.063	0.032	1.874
Rpim	0.024	0.012	0.726
Total number of observations	666214	35689	31841
Number of reflections	97320	5029	4850
<I/σ(I)>	13.3	43.7	1
Completeness [%]	99.9	99.9	98.8
Redundancy	6.8	7.1	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.15M Potassium thiocyanate pH 7, 20.5% PEG 3350, Sitting Drop (300 nL), protein-to-well ratio, 2:1, 298K