3OD4

Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97630
Spacegroup name	P 41 21 2
Unit cell lengths	86.400, 86.400, 147.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.639 - 2.200
R-factor	0.1776
Rwork	0.176
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.167
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.6_289)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.513	42.667	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.039	0.690
Rmeas		0.041	0.731
Rpim		0.014	0.238
Total number of observations		8365	38287
Number of reflections	29076
<I/σ(I)>	13.4	30.2	3.1
Completeness [%]	99.9	98	100
Redundancy	8.9	8	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.75M AMMONIUM SULFATE, 0.1M HEPES PH 7.5, 2% PEG 400, 2MM ZNCL2, 0.1MM LIGAND , VAPOR DIFFUSION, SITTING DROP, temperature 293K