5LBC

HIF prolyl hydroxylase 2 (PHD2/EGLN1) I280V/R281L/I292V variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/FG2216)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-09-17
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9173
Spacegroup name	P 63
Unit cell lengths	111.006, 111.006, 40.283
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.067 - 1.816
R-factor	0.1589
Rwork	0.158
R-free	0.18090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bqx
RMSD bond length	0.006
RMSD bond angle	0.950
Data reduction software	HKL-2000 (706E)
Data scaling software	HKL-2000 (706E)
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.067	1.870
High resolution limit [Å]	1.810	1.810
Rmerge	0.092	0.729
Number of reflections	25773
<I/σ(I)>	17.1	2
Completeness [%]	99.5	98.5
Redundancy	5.3	3.2
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M MES pH 6.5, 1.8 M ammonium sulphate, 5% v/v dioxane, 0.002 M MnCl2