4PNN

Crystal Structure of human Tankyrase 2 in complex with 4HQN.

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	74.170, 79.620, 153.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.590 - 1.650
R-factor	0.186
Rwork	0.186
R-free	0.21980
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]	79.630	79.630	1.670
High resolution limit [Å]	1.650	4.640	1.650
Rmerge	0.064	0.024	0.586
Total number of observations	773310
Number of reflections	106044	5308	1915
<I/σ(I)>	18.91	64.83	1.73
Completeness [%]	96.7	99.7	99.7
Redundancy	6.73	6.81	4.04

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