6YW4

HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with N-oxalylglycine (NOG) and a RaPID-derived silent allosteric cyclic peptide 3C (14-mer)

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	2015-09-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 65
Unit cell lengths	46.622, 46.622, 203.711
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.605 - 1.528
R-factor	0.1628
Rwork	0.162
R-free	0.17700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l9r
RMSD bond length	0.016
RMSD bond angle	1.407
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.580
High resolution limit [Å]	1.528	3.500	1.530
Rmerge	0.124	0.071
Rmeas	0.129	0.074
Rpim	0.039	0.020	0.532
Number of reflections	37807	3209	3124
<I/σ(I)>	20.07		1.73
Completeness [%]	100.0	99.9	100
Redundancy	16	13.1	13.1
CC(1/2)	0.996	0.996	0.653

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Sample: 1.0 mM cPHD2, 1.5 mM MnCl2, 2.0 mM compound, 1.0 mM 3C; Reservoir: 0.2 M lithium sulfate, 0.1 M Tris-HCl pH 8.5, 1.26 M ammonium sulfate; Sitting drop (300 nl), protein-to-well ratio, 1:1