9XS4

Factor inhibiting HIF-1 alpha in complex with Mn(II) and luteolin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-26
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.00700
Spacegroup name	P 41 21 2
Unit cell lengths	86.498, 86.498, 146.308
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.250 - 2.430
R-factor	0.2191
Rwork	0.215
R-free	0.26140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.733
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.920	2.520
High resolution limit [Å]	2.430	2.430
Rmerge	0.042	0.583
Number of reflections	39279	2226
<I/σ(I)>	20.8	2.2
Completeness [%]	99.8	99.8
Redundancy	4.4	4.7
CC(1/2)	1.000	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1 M HEPES-NaOH (pH 7.5), 3% (w/v) PEG 400, 1.6 M ammonium sulfate