5OPC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 41 21 2
Unit cell lengths	86.799, 86.799, 149.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.067 - 2.300
R-factor	0.1936
Rwork	0.193
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h2k
RMSD bond length	0.003
RMSD bond angle	0.522
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.800	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.148	1.780
Rpim	0.036	0.435
Number of reflections	26216	3748
<I/σ(I)>	10.9	1.8
Completeness [%]	100.0	100
Redundancy	17.5	17.5
CC(1/2)	0.998	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	300	0.1M HEPES pH7.5, 1.7M ammonium sulfate, 5.5% PEG 400