2Y0I

FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH TANKYRASE-2 (TNKS2) FRAGMENT PEPTIDE (21-MER)

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
Spacegroup name	P 41 21 2
Unit cell lengths	86.490, 86.490, 146.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.940 - 2.280
R-factor	0.2296
Rwork	0.230
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h2k
RMSD bond length	0.008
RMSD bond angle	1.329
Data reduction software	xia2
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	2.340	2.340
High resolution limit [Å]	2.280	2.280
Rmerge	0.050	0.770
Number of reflections	45166
<I/σ(I)>	23.9	3.1
Completeness [%]	99.6	98.3
Redundancy	9.3	9.3

Crystallization Conditions

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