4TKG

Crystal Structure of human Tankyrase 2 in complex with AZD2281.

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	PIXEL
Collection date	2010-06-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	73.790, 79.390, 153.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.550 - 1.950
R-factor	0.1857
Rwork	0.185
R-free	0.21620
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]	44.230	44.230	1.990
High resolution limit [Å]	1.950	5.440	1.950
Rmerge	0.068	0.036	0.612
Total number of observations	452719
Number of reflections	66741	3340	2952
<I/σ(I)>	15.03	41.01	2.19
Completeness [%]	99.9	99.6	100
Redundancy	6.7	6.03	6.39

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