8SRT

Crystal structure of the O-acetyl-L-serine sulfhydrylase A (CysK) holoenzyme from Staphylococcus aureus NCTC 8325

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	2021-02-17
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	54.985, 96.038, 58.597
Unit cell angles	90.00, 112.31, 90.00

Refinement procedure

Resolution	35.950 - 1.900
R-factor	0.189
Rwork	0.187
R-free	0.22070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q3b
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]	35.950	35.950	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.063	0.027	1.015
Rmeas	0.069	0.029	1.100
Rpim	0.026	0.011	0.421
Total number of observations	301349	2747	19074
Number of reflections	44294	415	2837
<I/σ(I)>	13	41.2	1.8
Completeness [%]	99.8	97.7	99.8
Redundancy	6.8	6.6	6.7
CC(1/2)	0.999	0.999	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.2 M ammonium acetate, 0.1 M HEPES pH 7.5, 25% PEG 3350