8SRV

Crystal structure of O-acetyl-L-serine sulfhydrylase A (CysK) from Staphylococcus aureus NCTC 8325 complexed with a transcriptional repressor (CymR) derived 10 amino acid peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	56.395, 96.240, 58.994
Unit cell angles	90.00, 111.92, 90.00

Refinement procedure

Resolution	35.420 - 1.320
R-factor	0.1656
Rwork	0.164
R-free	0.18740
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]	36.140	36.140	1.340
High resolution limit [Å]	1.320	7.230	1.320
Rmerge	0.055	0.033	1.151
Rmeas	0.060	0.036	1.273
Rpim	0.023	0.014	0.528
Total number of observations	918848	5436	37901
Number of reflections	136416	846	6775
<I/σ(I)>	13.2	39.1	1.4
Completeness [%]	99.8	97.3	99
Redundancy	6.7	6.4	5.6
CC(1/2)	0.999	0.999	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.1 M NaCl, 0.1 M PIPES pH 7, 22% PEG 2000 MME