9XS5

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

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	86.626, 86.626, 148.234
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.220 - 2.330
R-factor	0.2163
Rwork	0.213
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.670
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]	47.220	2.410
High resolution limit [Å]	2.330	2.330
Rmerge	0.047	0.556
Number of reflections	43012	2319
<I/σ(I)>	20.7	2.5
Completeness [%]	95.7	97.3
Redundancy	4.7	4.9
CC(1/2)	0.999	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1 M HEPES-NaOH (pH 7.0), 4% (w/v) PEG 400, 1.6 M ammonium sulfate