6FGX

Crystal structure of the small alarmone synthethase 2 from Staphylococcus aureus bound to AMPCPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	I 41 2 2
Unit cell lengths	125.862, 125.862, 217.879
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.400 - 2.900
Rwork	0.223
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fgj
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.460	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.179
Number of reflections	19874	1958
<I/σ(I)>	14.61	2.15
Completeness [%]	99.8	99.24
Redundancy	11.7	11.1
CC(1/2)	0.997	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M Tris pH 8.5, 0.2 M lithium sulfate and 30%, PEG4000