6JBD

Phosphotransferase-ATP complex related to CoA biosynthesis pathway

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-05
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 3 2 1
Unit cell lengths	95.323, 95.323, 60.691
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.000 - 2.500
Rwork	0.219
R-free	0.25940
Structure solution method	SIR
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.540
High resolution limit [Å]	2.500	6.790	2.500
Rmerge	0.064	0.033	0.388
Rmeas	0.067	0.035	0.407
Rpim	0.020	0.011	0.122
Number of reflections	11320	593	553
<I/σ(I)>	10.6
Completeness [%]	99.7	95	100
Redundancy	10.9	9.3	11.1
CC(1/2)		0.998	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 8000, calcium acetate, ATP, magnesium chloride