6JBC

Phosphotransferase 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	94.803, 94.803, 60.040
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.000 - 2.700
Rwork	0.229
R-free	0.27750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jbd
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.750
High resolution limit [Å]	2.700	7.330	2.700
Rmerge	0.059	0.034	0.426
Rmeas	0.062	0.035	0.446
Rpim	0.019	0.011	0.133
Number of reflections	8813	459	446
<I/σ(I)>	11.8
Completeness [%]	99.7	94.1	100
Redundancy	10.9	9.5	11.1
CC(1/2)		0.999	0.963

Crystallization Conditions

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