7ZVI

Non-canonical Staphylococcus aureus pathogenicity island repression

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	288
Detector technology	PIXEL
Collection date	2018-09-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.915
Spacegroup name	P 32 2 1
Unit cell lengths	88.218, 88.218, 110.489
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.919 - 2.973
Rwork	0.249
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7p4a
RMSD bond length	0.002
RMSD bond angle	1.154
Data reduction software	XDS
Data scaling software	AutoProcess
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.919	3.167
High resolution limit [Å]	2.973	2.973
Number of reflections	8900	794
<I/σ(I)>	12.3
Completeness [%]	83.7
Redundancy	9.8
CC(1/2)	0.999	0.487

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	0.1 M Tris-HCl pH 8.5, 22 % PEG350