4MSG

Crystal structure of tankyrase 1 with compound 22

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	41.529, 77.568, 148.152
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
Rwork	0.212
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.800
Number of reflections	46193
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	0.2/0.4 M Di Ammonium Tartarte, 12.5-25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.0