7KKM

Structure of the catalytic domain of tankyrase 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	98
Detector technology	PIXEL
Collection date	2018-11-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	49.030, 114.930, 80.520
Unit cell angles	90.00, 91.48, 90.00

Refinement procedure

Resolution	22.820 - 1.580
R-factor	0.197
Rwork	0.195
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2rf5
RMSD bond length	0.010
RMSD bond angle	1.010
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.500	1.710
High resolution limit [Å]	1.580	1.580
Number of reflections	92574	4579
<I/σ(I)>	14.8
Completeness [%]	89.2
Redundancy	3.2
CC(1/2)	0.999	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	Precipitant: 20.0 %v/v Ethylene glycol Precipitant: 10.0 %w/v PEG 4000 Salt: 0.1 M Sodium chloride Buffer: 0.1 M MES (pH 6.00)