7A1J

FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II) AND 3-(3-phenylpropyl)-2-oxoglutarate

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	2019-06-27
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97933
Spacegroup name	P 41 21 2
Unit cell lengths	86.194, 86.194, 148.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.310 - 1.900
R-factor	0.1754
Rwork	0.174
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h2k
RMSD bond length	0.020
RMSD bond angle	1.317
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]	74.577	1.933
High resolution limit [Å]	1.900	1.900
Rmerge	0.056	5.871
Number of reflections	84236	2209
<I/σ(I)>	25.5	0.7
Completeness [%]	100.0	100
Redundancy	26.1	28
CC(1/2)	0.999	0.308

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