6YVT

HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with MD-253

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-06
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	84.456, 103.018, 196.028
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.753 - 2.847
R-factor	0.2382
Rwork	0.237
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g19
RMSD bond length	0.004
RMSD bond angle	0.795
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	2.950
High resolution limit [Å]	2.847	6.140	2.850
Rmerge	0.180	0.088
Rmeas	0.200	0.097
Rpim	0.112	0.039	0.710
Number of reflections	40604	4243	4007
<I/σ(I)>	6.71		1.81
Completeness [%]	99.4	97.7	99.6
Redundancy	5.3	6.1	5
CC(1/2)	0.998	0.998	0.482

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Sample: 19.0 mg/ml PHD2 (50 mM Tris.HCl pH 7.5), 1.0 mM MnCl2 and 1.2 mM compound. Reservoir: 1.88 M ammonium sulfate, 0.1 M MES pH 6.5 and 5-7% dioxoane (v/v). Cryo-protection: 30% v/v glycerol.