8II0

FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(3-(3-chlorophenyl)isoxazol-5-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	2023-01-28
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97629
Spacegroup name	P 41 21 2
Unit cell lengths	86.615, 86.615, 147.097
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.310 - 2.040
R-factor	0.2064
Rwork	0.205
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h2k
RMSD bond length	0.002
RMSD bond angle	0.535
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]	61.250	2.080
High resolution limit [Å]	2.040	2.040
Rmerge	0.087	4.948
Number of reflections	63379	1764
<I/σ(I)>	19.4	0.3
Completeness [%]	100.0	99
Redundancy	26.7	27.7
CC(1/2)	1.000	0.352

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.