4AI8

FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH DAMINOZIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-22
Detector	RIGAKU SATURN 944
Spacegroup name	P 41 21 2
Unit cell lengths	86.757, 86.757, 145.481
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.370 - 2.400
R-factor	0.231
Rwork	0.231
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h2k
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.370	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.060	0.890
Number of reflections	21975
<I/σ(I)>	23.7	2.3
Completeness [%]	97.8	99.8
Redundancy	7	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES PH7.5, 1.6 M AMMONIUM SULFATE, 6% PEG400, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K