4PNM

Crystal Structure of human Tankyrase 2 in complex with Nu1025.

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	72.960, 79.250, 153.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.920 - 2.190
R-factor	0.2044
Rwork	0.203
R-free	0.24370
RMSD bond length	0.007
RMSD bond angle	0.920
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]	79.250	79.250	2.240
High resolution limit [Å]	2.190	6.120	2.190
Rmerge	0.099	0.039	0.560
Total number of observations	329620
Number of reflections	46699	2346	2383
<I/σ(I)>	13.44	37.26	2.82
Completeness [%]	99.9	99.7	98.5
Redundancy	7.05	6.81	6.75

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