8JVC

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	58.246, 58.246, 105.137
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.220 - 2.150
Rwork	0.197
R-free	0.23330
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.621
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]	41.220	2.220
High resolution limit [Å]	2.150	2.150
Rmerge	0.107	0.372
Rmeas	0.110	0.380
Rpim	0.022	0.075
Number of reflections	10444	873
<I/σ(I)>	24.9	11.3
Completeness [%]	100.0
Redundancy	25.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	PEG 3350, Bis-Tris (pH 6.5)