8IHZ

FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine

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	2020-02-04
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97624
Spacegroup name	P 41 21 2
Unit cell lengths	86.578, 86.578, 147.416
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.220 - 2.220
R-factor	0.2291
Rwork	0.227
R-free	0.26130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h2k
RMSD bond length	0.009
RMSD bond angle	1.088
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.650	2.260
High resolution limit [Å]	2.220	2.220
Rmerge	0.092	5.601
Number of reflections	28505	1381
<I/σ(I)>	20	0.3
Completeness [%]	100.0	100
Redundancy	25.6	26.6
CC(1/2)	1.000	0.285

Crystallization Conditions

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