7A1O

FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 4-ethyl-2-oxoglutarate, AND CONSENSUS ANKYRIN REPEAT DOMAIN (20-MER)

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	2019-11-30
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97950
Spacegroup name	P 41 21 2
Unit cell lengths	86.288, 86.288, 146.934
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.410 - 2.210
R-factor	0.2118
Rwork	0.210
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h2k
RMSD bond length	0.002
RMSD bond angle	0.518
Data reduction software	xia2
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.410	2.249
High resolution limit [Å]	2.210	2.210
Rmerge	0.155	6.556
Number of reflections	47454	788
<I/σ(I)>	15.8	0.5
Completeness [%]	90.5	56.8
Redundancy	26.1	16.8
CC(1/2)	0.999	0.168

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	1.6M AMMONIUM SULPHATE, 6% PEG 400, 0.1M HEPES PH 7.5