4BQW

HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Mn(II) and 2-(4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-23
Detector	RIGAKU SATURN 944
Spacegroup name	P 63
Unit cell lengths	109.914, 109.914, 39.409
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.800 - 1.790
R-factor	0.195
Rwork	0.195
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g19
RMSD bond length	0.006
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.800	1.850
High resolution limit [Å]	1.790	1.790
Rmerge	0.060	0.680
Number of reflections	25705
<I/σ(I)>	22.4	2.05
Completeness [%]	98.9	99.9
Redundancy	5.3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M MES PH6.5, 1.7M AMMONIUM SULFATE, 1% DIOXANE, 0.002M MNCL2, SITTING DROP, 293K