6WN9

Structure of Staphylococcus aureus peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain, Zn-bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-18
Detector	RAYONIX MX300HE
Wavelength(s)	1.28167
Spacegroup name	P 21 21 21
Unit cell lengths	39.510, 78.860, 106.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.157 - 1.550
R-factor	0.173
Rwork	0.172
R-free	0.19230
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.160	1.605
High resolution limit [Å]	1.550	1.550
Rmerge	0.096	0.341
Number of reflections	46179	2983
<I/σ(I)>	17.53
Completeness [%]	93.8
Redundancy	1.9
CC(1/2)	0.997	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.008 M zinc acetate, 20% PEG 3350