4GMA

Crystal structure of the adenosylcobalamin riboswitch

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
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	C 2 2 2
Unit cell lengths	96.648, 243.545, 87.102
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.260 - 3.940
R-factor	0.2628
Rwork	0.262
R-free	0.27520
Structure solution method	MIR
RMSD bond length	0.003
RMSD bond angle	0.867
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	SHARP
Refinement software	BUSTER-TNT (BUSTER 2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	88.374	88.374	4.890
High resolution limit [Å]	3.940	14.670	4.640
Rmerge		0.020	0.498
Total number of observations		535	3067
Number of reflections	8706
<I/σ(I)>	13.7	30.4	1.6
Completeness [%]	99.4	87.5	99.9
Redundancy	3.5	2.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	7.5	298	10% isopropanol, 300 mM magnesium chloride, 100 mM sodium HEPES pH 7.5, hanging drop, temperature 298K
1	hanging drop	7.5	298	10% isopropanol, 300 mM magnesium chloride, 100 mM sodium HEPES pH 7.5, hanging drop, temperature 298K
1	hanging drop	7.5	298	10% isopropanol, 300 mM magnesium chloride, 100 mM sodium HEPES pH 7.5, hanging drop, temperature 298K
1	hanging drop	7.5	298	10% isopropanol, 300 mM magnesium chloride, 100 mM sodium HEPES pH 7.5, hanging drop, temperature 298K