6KRO

Tankyrase-2 in complex with RK-582

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-01
Detector	RAYONIX MX225-HS
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	66.116, 66.116, 114.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.750 - 1.900
R-factor	0.1733
Rwork	0.172
R-free	0.20310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.028
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.750	1.940
High resolution limit [Å]	1.900	1.900
Rmeas	0.114	2.047
Rpim	0.030	0.534
Number of reflections	20832	1317
<I/σ(I)>	16.3	1.6
Completeness [%]	100.0
Redundancy	14.3
CC(1/2)	0.999	0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.1M Tris pH 8.5, 1.6M (NH4)2HPO4