3LA5

X-ray crystal structure of mc6 RNA Riboswitch bound to azacytosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	180
Detector technology	CCD
Collection date	2009-08-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	66.845, 125.105, 24.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.080 - 1.700
R-factor	0.181
Rwork	0.180
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y26
RMSD bond length	0.005
RMSD bond angle	1.229
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.083	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.091	0.274
Number of reflections	23579
<I/σ(I)>	16.88	5.25
Completeness [%]	94.4	80.7
Redundancy	5.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	298	3M 1,6-hexanediol, 0.1M Tris-HCl (pH 9.0), 200mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 298K