4TJU

Crystal Structure of human Tankyrase 2 in complex with 3,4-CPQ-5-C.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-12
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	74.140, 79.490, 153.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.680 - 1.570
R-factor	0.1939
Rwork	0.194
R-free	0.22050
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	XDS (2005/3)
Refinement software	BUSTER-TNT (BUSTER 2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.490	79.490	1.600
High resolution limit [Å]	1.570	4.480	1.570
Rmerge	0.056	0.024	0.600
Total number of observations	794005
Number of reflections	117003	5877	3338
<I/σ(I)>	19.91	65.16	1.6
Completeness [%]	92.1	99.7	71.4
Redundancy	6.16	6.82	2.74

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2M NaCl, 0.1M Sodium, Hepes buffer at pH7.5, 12-15% iso-propanol