4TJY

Crystal Structure of human Tankyrase 2 in complex with ABT-888.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-07
Detector	MAR CCD 165 mm
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	74.110, 79.570, 153.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.940 - 1.900
R-factor	0.1781
Rwork	0.177
R-free	0.21920
RMSD bond length	0.010
RMSD bond angle	1.030
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]	79.570	79.570	2.000
High resolution limit [Å]	1.900	5.320	1.900
Rmerge	0.087	0.048	0.432
Total number of observations	959051
Number of reflections	71252	3571	80
<I/σ(I)>	23.64	50.36	0.66
Completeness [%]	98.6	99.6	90
Redundancy	13.27	12.47	7.52

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