8C7O

Unliganded transcriptional pleiotropic repressor CodY from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	35.803, 163.852, 46.868
Unit cell angles	90.00, 93.80, 90.00

Refinement procedure

Resolution	45.000 - 2.050
Rwork	0.213
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.760	2.120
High resolution limit [Å]	2.050	2.050
Rpim	0.074	0.799
Number of reflections	33429	3376
<I/σ(I)>	5.6	1
Completeness [%]	99.4	100
Redundancy	3.8	3.9
CC(1/2)	0.995	0.440

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	Protein, 270 microM in 20 mM Tris-Cl pH 8, 200 mM NaCl, 1 mM DTT Well, 200 mM ammoniumsulphate, 100 mM NaAc pH4.6, 22-25% PEG4000