3KCY

Factor inhibiting HIF-1 alpha in complex with 8-hydroxyquinoline

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	86.912, 86.912, 144.559
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.140 - 2.590
R-factor	0.259
Rwork	0.255
R-free	0.33500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.575
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]	42.140	30.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.074	0.057	0.665
Number of reflections	25332
<I/σ(I)>	23.6
Completeness [%]	98.4	99.5	90
Redundancy	10.4	13	4.8

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