4W92

Crystal structure of Bacillus subtilis cyclic-di-AMP riboswitch ydaO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	60.281, 83.062, 233.573
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.787 - 3.209
R-factor	0.2553
Rwork	0.252
R-free	0.28920
RMSD bond length	0.003
RMSD bond angle	0.728
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.260
High resolution limit [Å]	3.200	8.670	3.200
Rmerge	0.166	0.059
Rmeas	0.165	0.062
Rpim	0.056	0.018	0.491
Total number of observations	122045
Number of reflections	9964
<I/σ(I)>	5.1
Completeness [%]	99.2	99.3	91.1
Redundancy	12.2	12.2	6.8
CC(1/2)		1.000	0.513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	293	PEG 3350