6FGJ

Crystal structure of the small alarmone synthethase 2 from Staphylococcus aureus

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	2015-04-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 43 21 2
Unit cell lengths	71.802, 71.802, 190.828
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.060 - 2.251
R-factor	0.2022
Rwork	0.200
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dec
RMSD bond length	0.010
RMSD bond angle	1.267
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.060	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.036	0.580
Number of reflections	24257	10417
<I/σ(I)>	20.37
Completeness [%]	99.0	100
Redundancy	4.3	4.4
CC(1/2)	1.000	0.850

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, 30% (w/v) PEG4000