9EC4

Structure of the Bacillus subtilis yjdF riboswitch aptamer domain in complex with chelerythrine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-18
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	109.654, 69.270, 82.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.794 - 2.853
R-factor	0.2322
Rwork	0.229
R-free	0.26370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.610
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.950
High resolution limit [Å]	2.850	6.090	2.850
Rmerge		0.045	0.535
Rmeas		0.052	0.624
Rpim	0.045	0.026	0.313
Number of reflections	14791	1589	1412
<I/σ(I)>	14.6
Completeness [%]	98.7	98.3	97.4
Redundancy	4.1	3.9	3.5
CC(1/2)		0.996	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	5% MPD, 3 mM spermine, 40 mM Na-cacodylate pH 7.0, 20 mM KCl, 5 mM BaCl2