7SNB

The X-ray crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with AMP and ADP to 1.105 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-17
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	42.726, 57.826, 81.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.360 - 1.110
R-factor	0.1561
Rwork	0.155
R-free	0.17100
Structure solution method	SAD
Starting model (for MR)	7rzk
RMSD bond length	0.011
RMSD bond angle	1.275
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXDE
Refinement software	PHENIX (dev_4302)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.230	1.120
High resolution limit [Å]	1.105	1.105
Rpim	0.031	0.382
Number of reflections	81058	4002
<I/σ(I)>	10.3	2
Completeness [%]	99.7
Redundancy	4.8
CC(1/2)	0.997	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2M MGCL2, 0.1M TRIS HCL PH8.5, 30%PEG4000 (JCSG CORE IV #21)