7A1Q

FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 3-(carboxycarbonyl)cyclopentane-1-carboxylic acid, 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	85.968, 85.968, 148.177
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.120 - 1.750
R-factor	0.1783
Rwork	0.177
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h2k
RMSD bond length	0.005
RMSD bond angle	0.844
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.122	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.059	8.138
Number of reflections	56748	2782
<I/σ(I)>	26.6	0.4
Completeness [%]	100.0	100
Redundancy	26.8	28.1
CC(1/2)	1.000	0.437

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