4TOR

Crystal structure of Tankyrase 1 with IWR-8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791516
Spacegroup name	P 62
Unit cell lengths	108.382, 108.382, 122.215
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.370 - 1.501
R-factor	0.1786
Rwork	0.177
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kr8
RMSD bond length	0.007
RMSD bond angle	1.072
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	128452
<I/σ(I)>	26.3	1.3
Completeness [%]	99.1	89.3
Redundancy	6.2	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	0.1M Bis-Tris propane, 0.2M sodium bromide, 25% PEG3350