8VIP

Crystal structure of the N-terminal domain of fatty acid kinase A (FakA) from Staphylococcus aureus (Mn 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)	1.7712
Spacegroup name	P 21 21 21
Unit cell lengths	42.812, 57.025, 81.696
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.760 - 1.770
R-factor	0.1499
Rwork	0.148
R-free	0.18610
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.092
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	PHENIX ((1.15_3460: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.760	1.810
High resolution limit [Å]	1.770	1.770
Rmerge	0.065	0.335
Rmeas	0.068	0.404
Rpim	0.020	0.220
Total number of observations		2095
Number of reflections	36210	798
<I/σ(I)>	24.2	2.5
Completeness [%]	97.2
Redundancy	10.6	2.6
CC(1/2)	0.999	0.884

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 MnCl2 and 2.5 mM AMP-PNP added to the protein prior to crystallization.