2W0X

FACTOR INHIBITING HIF-1 ALPHA WITH PYRIDINE 2,4 DICARBOXYLIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.1
Synchrotron site	SRS
Beamline	PX14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-10
Detector	ADSC CCD
Spacegroup name	P 41 21 2
Unit cell lengths	86.471, 86.471, 147.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.670 - 2.120
R-factor	0.213
Rwork	0.210
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h2n
RMSD bond length	0.000
RMSD bond angle	1.000
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.200	2.240
High resolution limit [Å]	2.130	2.120
Rmerge	0.080	0.570
Number of reflections	32255
<I/σ(I)>	16.9	1.8
Completeness [%]	99.9	99.7
Redundancy	8.2	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		1.6M AMMONIUM SULFATE, 0.1M HEPES PH 7.5, 5% PEG400, 1MM FESO4, 2MM SUBSTRATE