4W90

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	2014-05-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	59.280, 84.850, 230.536
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.937 - 3.118
R-factor	0.2357
Rwork	0.230
R-free	0.28830
RMSD bond length	0.003
RMSD bond angle	0.791
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	3.210
High resolution limit [Å]	3.118	8.560	3.160
Rmerge	0.133	0.055
Rmeas	0.140	0.058
Rpim	0.055	0.019	0.703
Total number of observations	96691
Number of reflections	9322
<I/σ(I)>	7.4
Completeness [%]	87.0	79.8	91.9
Redundancy	10.4	9.5	10.3
CC(1/2)		0.998	0.459

Crystallization Conditions

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