6WJS

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.60747
Spacegroup name	P 21 2 21
Unit cell lengths	73.579, 35.950, 203.088
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.790 - 3.800
R-factor	0.2724
Rwork	0.270
R-free	0.32750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f2q
RMSD bond length	0.002
RMSD bond angle	0.846
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]	41.790	41.790	3.900
High resolution limit [Å]	3.800	17.000	3.800
Rmerge	0.147	0.015	1.527
Rmeas	0.177	0.019	1.832
Total number of observations	17520
Number of reflections	5669	78	425
<I/σ(I)>	5.16	32.36	0.86
Completeness [%]	97.5	86.7	99.3
Redundancy	3.09	2.5	3.224
CC(1/2)	0.999	0.999	0.183

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	0.1 M SPG (succinic acid, sodium phosphate monobasic monohydrate, glycine; 2:7:7 ratio), pH 9.0, and 25 % PEG 1500