6YW3

HIF PROLYL HYDROXYLASE 2 (PHD2/ EGLN1) in complex with N-Oxalyl Glycine (NOG), HIF-1ALPHA CODD (556-574) and a RaPID-derived cyclic peptide 3C (14-mer)

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	2017-05-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	P 21 21 2
Unit cell lengths	76.443, 81.285, 43.219
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.686 - 2.279
R-factor	0.1898
Rwork	0.188
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l9r
RMSD bond length	0.004
RMSD bond angle	0.795
Data reduction software	DIALS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.686	76.443	2.400
High resolution limit [Å]	2.279	7.210	2.280
Rmerge		0.074	1.043
Rmeas	0.174	0.079	1.106
Rpim	0.056	0.028	0.362
Number of reflections	12861	476	1830
<I/σ(I)>	9.6	7.1	1.77
Completeness [%]	100.0	99.9	100
Redundancy	9.1	8	9
CC(1/2)	0.996		0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Sample: 1.0 mM cPHD2, 1.5 mM MnCl2, 2.0 mM compound, 1.0 mM 3C, 2.0 mM CODD; Reservoir: 19-23% w/v polyethylene glycol 3350, 0.25 M lithium sulfate, 2 mM MnCl2; Sitting drop (2 ul), protein-to-well ratio, 1:1