5LB6

HIF prolyl hydroxylase 2 (PHD2/EGLN1) R371H 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	111.159, 111.159, 40.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.385 - 1.700
R-factor	0.1461
Rwork	0.145
R-free	0.16820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bqx
RMSD bond length	0.012
RMSD bond angle	1.215
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]	37.240	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.086	0.498
Number of reflections	31671
<I/σ(I)>	16.7	4.4
Completeness [%]	100.0	100
Redundancy	10.5	10.7
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-Na pH 6.5, 30% polyethylene glycol monomethyl ether 5000, 0.2 M ammonium sulphate