8UTA

yjdF riboswitch from R. gauvreauii in complex with proflavine bound to Fab BL3-6 S97N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-20
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	63.873, 75.138, 95.727
Unit cell angles	87.25, 87.99, 87.72

Refinement procedure

Resolution	63.790 - 3.050
R-factor	0.2272
Rwork	0.224
R-free	0.26910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.191
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.560	3.210
High resolution limit [Å]	3.050	3.050
Rmerge	0.094	2.559
Rmeas	0.106	2.910
Rpim	0.050	1.364
Number of reflections	32504	4517
<I/σ(I)>	8.4	0.5
Completeness [%]	95.7
Redundancy	4.5
CC(1/2)	0.998	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.1 M HEPES pH 7.5, 0.2 M ammonium acetate, 25% PEG 3350