4J21

Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	277
Detector technology	CCD
Collection date	2012-02-10
Detector	ADSC QUANTUM 315r
Spacegroup name	P 41 21 2
Unit cell lengths	67.695, 67.695, 116.515
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	116.000 - 1.930
R-factor	0.2031
Rwork	0.201
R-free	0.25190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kr7
RMSD bond length	0.024
RMSD bond angle	1.799
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	116.510
High resolution limit [Å]	1.900
Number of reflections	20869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapour diffusion, hanging drop	8.5	277	17% PEG 3350, 0.2M Ammonium sulphate, 0.1M Tris pH 8.5, vapour diffusion, hanging drop, temperature 277K