5FK4

SAM-I riboswitch bearing the H. marismortui Kt-7 variant 3bn is UU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	173
Detector technology	PIXEL
Collection date	2013-08-05
Detector	DECTRIS PIXEL
Spacegroup name	P 43 21 2
Unit cell lengths	57.550, 57.550, 155.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.370 - 2.430
R-factor	0.1928
Rwork	0.190
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fjc
RMSD bond length	0.008
RMSD bond angle	1.455
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.370	2.490
High resolution limit [Å]	2.430	2.430
Rmerge	0.060	0.640
Number of reflections	10550
<I/σ(I)>	19.2	2.9
Completeness [%]	99.9	100
Redundancy	7.5	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		40 MM NA-CACODYLATE (PH 7.0), 80 MM KCL, 50 MM BACL2, 12 MM SPERMINE-HCL, 12% (V/V) MPD.