6YW2

HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic FG2216 and RaPID-derived cyclic peptide 3C (14-mer)

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	2017-06-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	P 65
Unit cell lengths	46.181, 46.181, 202.262
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.191 - 2.140
R-factor	0.1714
Rwork	0.170
R-free	0.19620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5l9r
RMSD bond length	0.005
RMSD bond angle	1.047
Data reduction software	XDS
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]	39.994	101.131	2.260
High resolution limit [Å]	2.140	6.770	2.140
Rmerge		0.043	1.341
Rmeas	0.174	0.044	1.386
Rpim	0.044	0.011	0.349
Number of reflections	13502	453	1962
<I/σ(I)>	12.6	15.5	2.17
Completeness [%]	100.0	99.9	100
Redundancy	15.4	14.7	15.8
CC(1/2)	0.998		0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Sample: 1.0 mM PHD2, 1.5 mM MnCl2, 2.0 mM compound, 1.0 mM 3C; Reservoir: 22% w/v polyethylene glycol 3350, 0.25 M magnesium formate, 2 mM MnCl2; Sitting drop (2 ul), protein-to-well ratio, 1:1