4PNR

Crystal Structure of human Tankyrase 2 in complex with TIQ-A.

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	74.060, 79.410, 153.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.040 - 1.710
R-factor	0.1817
Rwork	0.181
R-free	0.20770
RMSD bond length	0.010
RMSD bond angle	1.010
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]	79.410	79.410	1.760
High resolution limit [Å]	1.710	4.800	1.710
Rmerge	0.084	0.035	0.640
Total number of observations	714706
Number of reflections	95832	4793	5433
<I/σ(I)>	15.67	45.77	2.43
Completeness [%]	97.5	99.6	83.4
Redundancy	7.19	6.82	5.69

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