4L81

Structure of the SAM-I/IV riboswitch (env87(deltaU92, deltaG93))

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	2011-10-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 64 2 2
Unit cell lengths	120.930, 120.930, 186.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.950
R-factor	0.219
Rwork	0.219
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gis
RMSD bond length	0.007
RMSD bond angle	1.190
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.060
High resolution limit [Å]	2.950	2.950
Rmerge		0.665
Number of reflections	31972
<I/σ(I)>		2
Completeness [%]	99.8	99.8
Redundancy		7.52

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	303	50 mM Na-cacodylate, pH 8.0, 40 mM magnesium acetate, 300 mM KCl, 7% 2-methyl-2,4-pentanediol (MPD), 1 mM cobalt hexammine, VAPOR DIFFUSION, HANGING DROP, temperature 303K