4TKI

Crystal Structure of human Tankyrase 2 in complex with BSI-201.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-12
Detector	RIGAKU SATURN A200
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	74.010, 79.470, 153.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.390 - 2.150
R-factor	0.1795
Rwork	0.178
R-free	0.22760
RMSD bond length	0.010
RMSD bond angle	1.130
Data reduction software	XDS (2005/3)
Refinement software	BUSTER-TNT (BUSTER 2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.700	19.700	2.220
High resolution limit [Å]	2.130	5.940	2.130
Rmerge	0.124	0.051	0.532
Total number of observations	341134
Number of reflections	50089	2514	2245
<I/σ(I)>	13.93	38.62	1.34
Completeness [%]	97.9	96.3	83
Redundancy	6.67	6.51	3.05

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2M NaCl, 0.1M Sodium, Hepes buffer at pH7.5, 12-15% iso-propanol