4MDE

Structure of bacterial polynucleotide kinase product complex bound to GDP and DNA

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	2013-08-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	54.440, 73.120, 119.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.995 - 1.800
R-factor	0.1675
Rwork	0.164
R-free	0.20560
Structure solution method	molecular refinement
RMSD bond length	0.006
RMSD bond angle	1.084
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.200	1.900
High resolution limit [Å]	1.800	1.800
Number of reflections	43723
Completeness [%]	97.8	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	100 mM sodium citrate, pH 5.0, 2 mM guanosine diphosphate, 100mM magnesium chloride,18-24% PEG 6000,1.1 mM short DNA strand , VAPOR DIFFUSION, HANGING DROP, temperature 298.0K