4FRN

Crystal structure of the cobalamin riboswitch regulatory element

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-05
Detector	ADSC 315r
Wavelength(s)	1.60
Spacegroup name	P 21 21 21
Unit cell lengths	55.605, 81.833, 147.722
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.830 - 3.430
R-factor	0.252
Rwork	0.251
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4frg
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.605	55.600	3.620
High resolution limit [Å]	3.430	10.850	3.430
Rmerge		0.020	0.298
Total number of observations		1012	4656
Number of reflections	9466
<I/σ(I)>	8.512	26.3	2.6
Completeness [%]	99.5	96.4	99.5
Redundancy	3.4	3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	7	298	10% v/v MPD, 40 mM sodium cacodylate pH 7.0, 12 mM spermine tetrahydrochloride, 80 mM potassium chloride, 20 mM barium chloride, hanging drop, temperature 298K