8VIT

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

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	2019-06-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	42.936, 57.094, 81.029
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.320 - 1.250
R-factor	0.139
Rwork	0.138
R-free	0.16070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.17rc1_3605: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.670	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.053	1.152
Rmeas	0.058	1.263
Rpim	0.023	0.511
Total number of observations	353128	16710
Number of reflections	55921	2765
<I/σ(I)>	14.2	1.5
Completeness [%]	100.0
Redundancy	6.3	6
CC(1/2)	0.999	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	Proplex C3: 20% (w/v) PEG 4000, 100 mM sodium acetate pH 5.0, 200 mM ammonium acetate, Cryo: 80% well solution and 20% (v/v) PEG 200, 2.5 mM MgCl2 and 2.5 mM ADP added to the protein prior to crystallization.