7R3Z

Tankyrase 2 catalytic domain in complex with OUL40

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	C 2 2 21
Unit cell lengths	91.960, 97.490, 117.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.020 - 2.250
R-factor	0.1992
Rwork	0.197
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nob
RMSD bond length	0.007
RMSD bond angle	1.448
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.310
High resolution limit [Å]	2.250	2.250
Number of reflections	25467	1844
<I/σ(I)>	10.71
Completeness [%]	99.9
Redundancy	6.5
CC(1/2)	0.996	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	0.1 M Tris pH 8.5, 200 mM lithium sulfate, 20-24% PEG (w/v) PEG 3350