4TKF

Crystal Structure of human Tankyrase 2 in complex with IWR-1.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-27
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	73.360, 78.590, 151.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.600 - 2.600
R-factor	0.1704
Rwork	0.166
R-free	0.25070
RMSD bond length	0.010
RMSD bond angle	1.190
Data reduction software	XDS (2005/3)
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	19.600	2.460
High resolution limit [Å]	2.400	6.630	2.400
Rmerge	0.125	0.036	0.659
Total number of observations	255295
Number of reflections	35412	1772	1935
<I/σ(I)>	14.53	42.65	2.64
Completeness [%]	99.6	94.7	98.3
Redundancy	7.18	6.31	7

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