9XS6

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

This is a non-PDB format compatible entry.

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	87.020, 87.020, 147.982
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.310 - 2.460
R-factor	0.2189
Rwork	0.215
R-free	0.25590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.631
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]	49.330	2.560
High resolution limit [Å]	2.460	2.460
Rmerge	0.057	0.658
Number of reflections	37971	2362
<I/σ(I)>	16.1	2.2
Completeness [%]	99.4	100
Redundancy	4.3	4.6
CC(1/2)	0.999	0.719

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