5LAT

HIF prolyl hydroxylase 2 (PHD2/EGLN1) P317R variant in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 63
Unit cell lengths	111.182, 111.182, 40.028
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.796 - 1.900
R-factor	0.1512
Rwork	0.150
R-free	0.16590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bqx
RMSD bond length	0.006
RMSD bond angle	0.852
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.800	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.088	0.354
Number of reflections	22463
<I/σ(I)>	9.1	2.9
Completeness [%]	99.6	99.8
Redundancy	2.8	2.9
CC(1/2)	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.1 M tri-sodium citrate pH 5.6, 20% PEG 4000, 20% 2-propanol