4MSK

Co-crystal structure of tankyrase 1 with compound 34

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Spacegroup name	P 21 21 2
Unit cell lengths	158.226, 79.781, 85.536
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
Rwork	0.239
R-free	0.28500
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]	2.300
Number of reflections	48456
Completeness [%]	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	0.2/0.4 M Di Ammonium Tartrate, 12.5-25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.0