5LBE

HIF prolyl hydroxylase 2 (PHD2/EGLN1) G294E 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 I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 63
Unit cell lengths	110.450, 110.450, 39.654
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.210 - 1.749
R-factor	0.1651
Rwork	0.164
R-free	0.17710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bqx
RMSD bond length	0.005
RMSD bond angle	0.813
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]	32.210	1.810
High resolution limit [Å]	1.749	1.750
Rmerge	0.050	0.957
Number of reflections	28119
<I/σ(I)>	25.1	2.2
Completeness [%]	100.0	100
Redundancy	6.5	6.3
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M MES pH 6.5, 2.0 M ammonium sulphate, 7% v/v dioxane, 0.002 M MnCl2