6NM1

The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein A158L mutant to 2.33 Angstrom resolution exhibits a conformation change compared to the wild type form

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	2017-02-26
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	33.355, 53.517, 86.152
Unit cell angles	76.88, 89.36, 72.27

Refinement procedure

Resolution	31.709 - 2.330
R-factor	0.2396
Rwork	0.237
R-free	0.28830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mh9
RMSD bond length	0.002
RMSD bond angle	0.477
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((dev_3354: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.740	2.410
High resolution limit [Å]	2.330	2.330
Rmerge	0.086	0.813
Rmeas	0.100	0.942
Rpim	0.051	0.475
Number of reflections	23124	2250
<I/σ(I)>	10.2	1.9
Completeness [%]	98.2	97.7
Redundancy	3.9	3.9
CC(1/2)	0.998	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PH 6.5 0.1M MES/IMIDAZOLE, 12.5%, PEG1000, 12.5% PEG3350, 12.5% MPD, 0.03M NANO3, 0.03M NA2HPO4, 0.03M (NH4)2 SO4