4B7K

FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKYRIN REPEAT DOMAIN-SER PEPTIDE (20-MER)

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	86.355, 86.355, 148.308
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.910 - 2.390
R-factor	0.225
Rwork	0.225
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h2k
RMSD bond length	0.009
RMSD bond angle	1.400
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]	29.900	2.450
High resolution limit [Å]	2.390	2.390
Rmerge	0.080	0.530
Number of reflections	22918
<I/σ(I)>	17	2.2
Completeness [%]	99.3	91.7
Redundancy	12	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		1.6 M AMMONIUM SULPHATE, 6% PEG 400, 0.1 M HEPES PH 7.5