4J3L

Tankyrase 2 in complex with 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	277
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Spacegroup name	P 41 21 2
Unit cell lengths	67.207, 67.207, 115.799
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.000 - 2.090
R-factor	0.1932
Rwork	0.190
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kr7
RMSD bond length	0.022
RMSD bond angle	1.811
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]	115.800
High resolution limit [Å]	2.090
Number of reflections	16212
Completeness [%]	98.0

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