4BIO

FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH 8-HYDROXYQUINOLINE-5- CARBOXYLIC ACID

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	2011-12-03
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 41 21 2
Unit cell lengths	86.720, 86.720, 147.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.590 - 2.450
R-factor	0.2009
Rwork	0.201
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h2k
RMSD bond length	0.011
RMSD bond angle	1.390
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.590	2.580
High resolution limit [Å]	2.450	2.450
Rmerge	0.090	0.800
Number of reflections	21369
<I/σ(I)>	12.8	2.2
Completeness [%]	99.3	100
Redundancy	7.1	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5		1.2M AMMONIUM SULPHATE, 3% PEG400, PEG400, 0.001M FECL2, 0.1M HEPES PH7.5, VAPOR DIFFUSION, SITTING DROP