6UJ5

Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	50.870, 52.750, 71.130
Unit cell angles	71.00, 85.59, 64.61

Refinement procedure

Resolution	45.070 - 1.800
R-factor	0.171
Rwork	0.169
R-free	0.20500
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.715
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17RC1_3602)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.048	0.529
Number of reflections	56702
<I/σ(I)>	12.74	2.29
Completeness [%]	97.0	95.8
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.2M MgCl2, 0.1M Tris-HCl, pH8.5, 25% w/v PEG3,350 and cryo-protected in 20% ethylene glycol