9IIF

Factor inhibiting HIF-1 alpha in complex with Zn(II) and Desidustat

This is a non-PDB format compatible entry.

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	2024-01-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97627
Spacegroup name	P 41 21 2
Unit cell lengths	86.561, 86.561, 144.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.280 - 2.160
R-factor	0.1974
Rwork	0.195
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.747
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]	56.350	2.200
High resolution limit [Å]	2.160	2.160
Rmerge	0.081	5.228
Number of reflections	53587	1473
<I/σ(I)>	20.8	0.3
Completeness [%]	100.0	99.9
Redundancy	26.5	27
CC(1/2)	1.000	0.278

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.27 mM FIH, 0.5 mM zinc acetate, 2 mM densidustat, 0.1 M HEPES, pH 7.5, 6% w/v PEG400, 1.6 M ammonium sulfate