8JVF

Crystal structure of dephospho-coenzyme A kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	55.101, 55.101, 122.584
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.010 - 2.400
Rwork	0.218
R-free	0.25780
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.722
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.073	0.417
Rmeas	0.075	0.425
Rpim	0.015	0.082
Number of reflections	7963	811
<I/σ(I)>	30.7	10.7
Completeness [%]	100.0	100
Redundancy	24.4	26.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 1500, GTP