6ZJO

Crystal Structure of Staphylococcus aureus RsgA.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-13
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	54.671, 93.566, 68.177
Unit cell angles	90.00, 90.71, 90.00

Refinement procedure

Resolution	47.196 - 2.010
Rwork	0.224
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zhl
Data reduction software	xia2
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.200	47.200	2.060
High resolution limit [Å]	2.010	8.990	2.010
Rmerge	0.137	0.035	0.828
Rmeas	0.149	0.038	0.895
Rpim	0.057	0.015	0.336
Total number of observations	306023	3490	22827
Number of reflections	44789	535	3254
<I/σ(I)>	8.4	38.4	1.8
Completeness [%]	98.2	99.2	97
Redundancy	6.8	6.5	7
CC(1/2)	0.997	0.999	0.594

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	290	0.15 M ammonium sulphate, 0.1 M MES, 15% (w/v) PEG 4000