4KBZ

Crystal Structure of Hypoxia-Inducible Factor Prolyl Hydroxylase (PHD2) with (S)-{2-[2-(5-Cyano-3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetylamino}-phenyl-acetic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Detector technology	CCD
Collection date	2009-01-10
Detector	ADSC QUANTUM 315r
Spacegroup name	P 41
Unit cell lengths	72.207, 72.207, 46.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.180 - 2.150
R-factor	0.211
Rwork	0.211
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hbu
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.072	0.429
Number of reflections	13128
<I/σ(I)>	31.48	3.31
Completeness [%]	100.0	100
Redundancy	4.8	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	295	0.1M HEPES, 35% PEG8K, 0.2M ammonium sulfate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K