4PML

Crystal Structure of human Tankyrase 2 in complex with 3-amino-benzamide.

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	2009-05-12
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	74.020, 79.800, 153.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.340 - 1.870
R-factor	0.2011
Rwork	0.201
R-free	0.22340
RMSD bond length	0.007
RMSD bond angle	0.890
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.340	1.970
High resolution limit [Å]	1.870	1.870
Number of reflections	72922
<I/σ(I)>	14.83	2
Completeness [%]	95.8	77.8
Redundancy	6.42	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2M NaCl, 0.1M Sodium, Hepes buffer at pH7.5, 12-15% iso-propanol