4PNQ

Crystal Structure of human Tankyrase 2 in complex with 5AIQ.

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	74.030, 79.470, 153.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.730 - 1.850
R-factor	0.1882
Rwork	0.188
R-free	0.22700
RMSD bond length	0.010
RMSD bond angle	1.020
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]	79.470	79.470	1.880
High resolution limit [Å]	1.850	5.150	1.850
Rmerge	0.082	0.034	0.611
Total number of observations	572917
Number of reflections	78010	3914	2397
<I/σ(I)>	16.39	45.21	2.67
Completeness [%]	99.9	99.5	100
Redundancy	7.25	6.64	7.4

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