4TJW

Crystal Structure of human Tankyrase 2 in complex with PJ-34.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-12
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	73.759, 79.308, 153.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.810 - 1.700
R-factor	0.17779
Rwork	0.177
R-free	0.22695
RMSD bond length	0.019
RMSD bond angle	1.881
Data reduction software	XDS (2005/3)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.810	19.810	1.760
High resolution limit [Å]	1.700	5.000	1.700
Rmerge	0.049	0.026	0.463
Total number of observations	522875
Number of reflections	82801	4150	2764
<I/σ(I)>	23.69	62.67	1.97
Completeness [%]	83.2	97.6	34.2
Redundancy	5.25	6.64	1.13

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