9JTX

Factor inhibiting HIF-1 alpha in complex with Zn(II) and 2-(4-hydroxy-2-oxo-1-(thiazol-4-ylmethoxy)-1,2-dihydroquinoline-3-carboxamido)-2-methylpropanoic acid

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)	0.97628
Spacegroup name	P 41 21 2
Unit cell lengths	86.577, 86.577, 145.177
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.800 - 2.080
R-factor	0.216
Rwork	0.214
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.037
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]	56.410	2.120
High resolution limit [Å]	2.080	2.080
Rmerge	0.080	4.681
Number of reflections	59283	1658
<I/σ(I)>	19.3	0.3
Completeness [%]	100.0	100
Redundancy	26.6	27.3
CC(1/2)	1.000	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES, pH 7.5, 6%w/v PEG400, 1.6 M ammonium sulfate