4JT4

Structure of Clostridium thermocellum polynucleotide kinase bound to dATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	130
Detector technology	PIXEL
Collection date	2012-09-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	45.306, 66.781, 119.546
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.538 - 2.010
R-factor	0.159
Rwork	0.154
R-free	0.21760
Structure solution method	Direct refinement
RMSD bond length	0.010
RMSD bond angle	1.273
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.500	45.500	2.070
High resolution limit [Å]	2.010	2.070	2.010
Number of reflections	24363
Completeness [%]	99.7	99.7	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	100mM sodium citrate, 100mM MgCl2, 16-18% PEG 3350, 2mM dATP, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K