5ZQP

Tankyrase-2 in complex with compound 12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-14
Detector	RAYONIX MX225HE
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	67.405, 67.405, 115.092
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.700 - 1.990
R-factor	0.174
Rwork	0.173
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zqo
RMSD bond length	0.007
RMSD bond angle	0.829
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.660	2.040
High resolution limit [Å]	1.990	1.990
Rmeas	0.173	1.756
Rpim	0.050	0.501
Number of reflections	18927	1295
<I/σ(I)>	15.1	1.7
Completeness [%]	100.0	100
Redundancy	11.9	12.2
CC(1/2)	0.998	0.588

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.1M Tris pH 8.5, 2.4M (NH4)2HPO4