3KCX

Factor inhibiting HIF-1 alpha in complex with Clioquinol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6C1
Synchrotron site	PAL/PLS
Beamline	6C1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-10
Detector	ADSC QUANTUM 210
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	86.746, 86.746, 146.525
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.820 - 2.600
R-factor	0.246
Rwork	0.244
R-free	0.29200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.485
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.640
High resolution limit [Å]	2.600	6.960	2.600
Rmerge	0.122	0.069	0.760
Number of reflections	17839
<I/σ(I)>	13.6
Completeness [%]	100.0	99.8	100
Redundancy	13.8	12.8	13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.6M ammonium sulfate, 2% polyethyleneglycol 400, 0.1M Tris-HCl, pH 7.5, vapor diffusion, hanging drop, temperature 293K