6FGK

Crystal structure of the small alarmone synthethase 2 from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	83.670, 99.920, 122.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.281 - 3.200
R-factor	0.2601
Rwork	0.257
R-free	0.31920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dec
RMSD bond length	0.004
RMSD bond angle	0.735
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]	47.280	3.420
High resolution limit [Å]	3.200	3.200
Rmerge	0.169	0.572
Number of reflections	16011	1561
<I/σ(I)>	3.7	0.9
Completeness [%]	92.2	92.7
Redundancy	4.1	4.2
CC(1/2)	0.980	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M CHES pH 9.5, 30% (w/v) PEG 3000