5OP8

Factor Inhibiting HIF (FIH) in complex with zinc and Molidustat

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	2015-10-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	86.180, 86.180, 148.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.387 - 2.300
R-factor	0.2
Rwork	0.199
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h2k
RMSD bond length	0.012
RMSD bond angle	0.664
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]	30.470	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.148	1.229
Rpim	0.046	0.374
Number of reflections	25593	3657
<I/σ(I)>	8.9	1.9
Completeness [%]	99.9	100
Redundancy	11.3	11.5
CC(1/2)	0.995	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	300	0.1M HEPES pH7.5, 1.4M ammonium sulfate, 4.5% PEG400