5LBF

HIF prolyl hydroxylase 2 (PHD2/EGLN1) K293K/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 I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 63
Unit cell lengths	109.766, 109.766, 39.545
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.530 - 1.899
R-factor	0.1607
Rwork	0.160
R-free	0.18470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bqx
RMSD bond length	0.008
RMSD bond angle	0.947
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]	47.530	1.970
High resolution limit [Å]	1.899	1.900
Rmerge	0.083	1.000
Number of reflections	21775
<I/σ(I)>	30.8	2.5
Completeness [%]	100.0	100
Redundancy	14.7	14.9
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, 1.8 M ammonium sulphate, 2% v/v dioxane, 0.002 M MnCl2