6VMY

Structure of the B. subtilis cobalamin riboswitch

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-03
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 65 2 2
Unit cell lengths	118.282, 118.282, 261.547
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.210 - 3.250
Rwork	0.263
R-free	0.27900
Structure solution method	MIRAS
RMSD bond length	0.003
RMSD bond angle	0.807
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHARP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.213	3.460
High resolution limit [Å]	3.253	3.280
Rmerge	0.160	4.129
Rmeas	0.162	4.168
Rpim	0.025	0.561
Number of reflections	15338	41046
<I/σ(I)>	18.2
Completeness [%]	92.8	43.8
Redundancy	47	54
CC(1/2)	0.996	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	Purified RNA was incubated at room temperature for 30 minutes in 25 mM Tris-HCl, pH 8.0, 50 mM potassium chloride, 10 mM magnesium chloride, 0.5 mM adenosylcobalamin prior to crystallization in 50 mM sodium cacodylate, 15% (v/v) PEG 400, 0.2 mM cobalt hexamine, 80 mM magnesium acetate, 1 mM spermine between pH 6.0 to pH 6.5 at 14C by vapor diffusion in a hanging drop format