3IQN

Free-state structural transitions of the SAM-I riboswitch

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-06-24
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	61.980, 61.980, 159.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.259
Rwork	0.259
R-free	0.29900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gis
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS (1.2)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.800
High resolution limit [Å]	2.700	5.770	2.700
Rmerge	0.073	0.028	0.278
Number of reflections	16190
<I/σ(I)>	12.4	30.4	4.6
Completeness [%]	99.8	98.7	100
Redundancy	3.74	3.83	3.68

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	7	303	pH 7.0, hanging drop, temperature 303K