6A84

Tankyrase-2 in complex with compound 15d

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-01
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54178
Spacegroup name	P 41 21 2
Unit cell lengths	66.804, 66.804, 115.905
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.648 - 1.980
R-factor	0.1713
Rwork	0.169
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zqo
RMSD bond length	0.007
RMSD bond angle	0.834
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.980	1.980
Rmeas	0.129
Rpim	0.037	0.355
Number of reflections	18983	935
<I/σ(I)>	19.7	2.1
Completeness [%]	100.0	99.5
Redundancy	12.5	10.6
CC(1/2)		0.763

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