4PNL

Crystal structure of TNKS-2 in complex with DR2313.

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	2009-08-12
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	74.000, 79.770, 153.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.320 - 1.500
R-factor	0.2072
Rwork	0.207
R-free	0.24430
RMSD bond length	0.007
RMSD bond angle	0.930
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.320	1.600
High resolution limit [Å]	1.500	1.500
Rmerge		0.494
Number of reflections	127678
<I/σ(I)>	18.76	2
Completeness [%]	87.4	58.8
Redundancy	5.65	2.26

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