5ZQR

Tankyrase-2 in complex with compound 40c

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	2015-04-16
Detector	RAYONIX MX225HE
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	66.728, 66.728, 115.224
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.500 - 1.750
R-factor	0.165
Rwork	0.163
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zqo
RMSD bond length	0.008
RMSD bond angle	0.855
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]	47.180	1.790
High resolution limit [Å]	1.750	1.750
Rmeas	0.070	1.146
Rpim	0.020	0.330
Number of reflections	26944	1395
<I/σ(I)>	27.1	2.4
Completeness [%]	99.9	97.8
Redundancy	11.9	11.7
CC(1/2)	1.000	0.762

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