6WJR

Apo structure of the FMN riboswitch aptamer domain in the presence of sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033175
Spacegroup name	P 21 2 21
Unit cell lengths	73.635, 36.468, 205.524
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.140 - 2.700
R-factor	0.2222
Rwork	0.221
R-free	0.25760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f2q
RMSD bond length	0.006
RMSD bond angle	1.385
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18rc5_3822)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.140	42.140	2.770
High resolution limit [Å]	2.700	12.070	2.700
Rmerge	0.089	0.043	4.793
Rmeas	0.104	0.051	5.447
Total number of observations	64444
Number of reflections	15928	209	1168
<I/σ(I)>	8.16	21.58	0.33
Completeness [%]	99.0	89.7	99.6
Redundancy	4.046	3.177	4.294
CC(1/2)	0.998	0.999	0.138

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium acetate, pH 4.6, 0.2 M ammonium sulfate, and 26 % PEG 3350