6YVW

HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with monocyclic BB-328

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-25
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 63
Unit cell lengths	110.175, 110.175, 39.791
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.448 - 1.970
R-factor	0.1881
Rwork	0.187
R-free	0.20810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g19
RMSD bond length	0.017
RMSD bond angle	1.439
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	2.000
High resolution limit [Å]	1.970	5.350	1.970
Rmerge	0.092	0.041	0.915
Number of reflections	19800	1032	968
<I/σ(I)>	18.77		2.38
Completeness [%]	99.8	97	99.6
Redundancy	7.8	7.7	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Sample: (20 mg/ml PHD2 + 1 mM FeSO4 + 2 mM compound); Reservoir: 1.6-2.0 M (NH4)2SO4, 2-8% dioxane, 0.1 M MES-Na pH 6.5, and 1 mM FeSO4; Hanging drop (2 ul), protein-to-well ratio, 1:1, 293K