6VJP

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99961
Spacegroup name	P 1 21 1
Unit cell lengths	42.347, 61.303, 67.690
Unit cell angles	90.00, 100.90, 90.00

Refinement procedure

Resolution	28.778 - 1.711
R-factor	0.1676
Rwork	0.166
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	OatA Zn
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.780	1.773
High resolution limit [Å]	1.711	1.711
Number of reflections	36587	3545
<I/σ(I)>	17.32	1.97
Completeness [%]	99.4	96.12
Redundancy	1.96	1.9
CC(1/2)	0.999	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	27% PEG 6000, 0.015 M sodium citrate