8VIQ

Crystal structure of the N-terminal domain of fatty acid kinase A (FakA) from Staphylococcus aureus (Mg and AMP-PNP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	42.728, 56.433, 81.803
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.065 - 1.100
R-factor	0.1262
Rwork	0.125
R-free	0.14170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.988
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.15_3460: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.450	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.056	1.133
Rmeas	0.061	1.237
Rpim	0.024	0.492
Total number of observations	512550	24635
Number of reflections	81027	3948
<I/σ(I)>	12.8	1.6
Completeness [%]	100.0
Redundancy	6.3	6.2
CC(1/2)	0.999	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Proplex D9: 15% (w/v) PEG 6000, 100 mM MES pH 6.5, 5% (v/v) 2-methyl-2,4-pentanediol, Cryo: 85% crystallization solution and 15% (v/v) MPD, 2.5 mM MgCl2 and 2.5 mM AMP-PNP added to the protein prior to crystallization.