6FZ0

Crystal structure of the metY SAM V riboswitch

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9196
Spacegroup name	P 41 2 2
Unit cell lengths	87.828, 87.828, 62.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.113 - 2.499
R-factor	0.2338
Rwork	0.231
R-free	0.26990
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.601
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.113	2.540
High resolution limit [Å]	2.499	2.500
Rmerge	0.083	0.976
Rmeas	0.086
Rpim	0.023	0.276
Number of reflections	15977	428
<I/σ(I)>	16.8	2.1
Completeness [%]	100.0	99.3
Redundancy	13.8	13.2
CC(1/2)	0.999	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	280	0.2MPotassium chloride 0.01MCalcium chloride dihydrate 0.05MBis-Tris7.0 40% v/vPEG 400