7A1S

FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 3-methyl-2-oxoglutarate, AND TANKYRASE-2 (TNKS2) FRAGMENT PEPTIDE (21-MER)

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	2019-07-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97933
Spacegroup name	P 41 21 2
Unit cell lengths	86.089, 86.089, 148.417
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.470 - 2.010
R-factor	0.1818
Rwork	0.180
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h2k
RMSD bond length	0.002
RMSD bond angle	0.513
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]	74.470	2.040
High resolution limit [Å]	2.006	2.006
Rmerge	0.219
Number of reflections	38135	1861
<I/σ(I)>	13.5	0.5
Completeness [%]	100.0	100
Redundancy	25.8	27.8
CC(1/2)	0.999	0.351

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