4OQU

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

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	2014-01-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9999
Spacegroup name	P 64 2 2
Unit cell lengths	127.269, 127.269, 181.609
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.408 - 3.200
R-factor	0.1987
Rwork	0.196
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.252
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.660	3.310
High resolution limit [Å]	3.200	3.200
Number of reflections	14916
Completeness [%]	99.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	303.15	1:1 mix of RNA mix and mother liquor. RNA mix contained RNA and 1 mM SAM. Mother liquor contained 50 mM Na-cacodylate, pH 7.0, 250 mM ammonium acetate, 20 mM MgCl2, and 16% 2-methyl-2,4-pentanediol (MPD), VAPOR DIFFUSION, HANGING DROP, temperature 303.15K