3NPN

Structure of the s-adenosylhomocysteine riboswitch at 3.0A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-03
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1051
Spacegroup name	H 3 2
Unit cell lengths	105.360, 105.360, 107.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.059 - 2.792
R-factor	0.256
Rwork	0.252
R-free	0.29200
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.970
Data reduction software	DENZO
Data scaling software	SCALA (3.3.12)
Phasing software	PHASER
Refinement software	REFMAC (refmac_5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.059	29.680	2.940
High resolution limit [Å]	2.775	8.830	2.775
Rmerge		0.010	0.010
Total number of observations		1048	4868
Number of reflections	5854
<I/σ(I)>	4.058	11	0.7
Completeness [%]	99.8	94.9	99.9
Redundancy	5.6	5.4	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	7	298	2.25 mM Spermine, 9 mM magnesium chloride, 0.9 mM spermidine, 1.8 mM Cobalt(III)hexammine chloride, 0.05 M sodium cacodylate pH 7.0, 5% (v/v) PEG 400, 20 mM iridium (III) hexammine chloride, hanging drop, temperature 298K