8SRU

Crystal structure of O-acetyl-L-serine sulfhydrylase A (CysK) from Staphylococcus aureus NCTC 8325 complexed with a serine acetyltransferase (CysE) derived peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-13
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	64.660, 96.738, 94.287
Unit cell angles	90.00, 93.09, 90.00

Refinement procedure

Resolution	39.050 - 1.500
R-factor	0.187
Rwork	0.185
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8srt
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.050	39.050	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.062	0.035	1.224
Rmeas	0.067	0.038	1.326
Rpim	0.026	0.015	0.504
Total number of observations	1256372	6967	61135
Number of reflections	184526	1073	9011
<I/σ(I)>	12.4	29	1.5
Completeness [%]	99.8	91.1	98.9
Redundancy	6.8	6.5	6.8
CC(1/2)	0.999	0.999	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.2 M ammonium acetate, 01M HEPES pH 7.5, 25% PEG 3350