4PNT

Crystal Structure of human Tankyrase 2 in complex with 1,5-IQD.

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	73.980, 79.590, 153.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.740 - 1.600
R-factor	0.1913
Rwork	0.191
R-free	0.22580
RMSD bond length	0.011
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]	79.590	79.590	1.630
High resolution limit [Å]	1.600	4.560	1.600
Rmerge	0.062	0.032	0.607
Total number of observations	764541
Number of reflections	111639	5590	3114
<I/σ(I)>	18	52.12	1.6
Completeness [%]	93.1	99.8	73.7
Redundancy	6.37	6.81	3.11

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