7CE4

Tankyrase2 catalytic domain in complex with K-476

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9800
Spacegroup name	P 41 21 2
Unit cell lengths	66.534, 66.534, 116.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.090 - 1.500
R-factor	0.1744
Rwork	0.173
R-free	0.20270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kr7
RMSD bond length	0.013
RMSD bond angle	1.814
Data reduction software	XDS
Data scaling software	Aimless (0.7.2)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.090	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.043	1.089
Rmeas	0.046	1.155
Rpim	0.015	0.380
Number of reflections	42760	2056
<I/σ(I)>	28.8
Completeness [%]	100.0	99.8
Redundancy	9.3	9
CC(1/2)	1.000	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	30% PEG 3350, 0.2 M lithium sulfate, 0.1 M Tris pH 8.5