5ZQQ

Tankyrase-2 in complex with compound 52

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-26
Detector	ADSC QUANTUM 270
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	66.705, 66.705, 118.688
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.830 - 2.290
R-factor	0.166
Rwork	0.163
R-free	0.22400
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]	47.170	2.370
High resolution limit [Å]	2.290	2.290
Rmeas	0.081	0.464
Rpim	0.024	0.132
Number of reflections	12722	1226
<I/σ(I)>	21.8	5.7
Completeness [%]	100.0	100
Redundancy	11.7	12
CC(1/2)	0.996	0.976

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