9EBP

Structure of the Bacillus subtilis yjdF riboswitch complexed with lumichrome in the presence of iridium hexammine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2022-05-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1055
Spacegroup name	P 21 21 2
Unit cell lengths	111.572, 65.817, 81.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.989 - 2.700
R-factor	0.2519
Rwork	0.247
R-free	0.28980
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.159
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	AutoSol
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rpim	0.025	0.347
Number of reflections	16987	1635
<I/σ(I)>	43.5
Completeness [%]	99.7	99
Redundancy	13.7	12.4
CC(1/2)	1.000	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	5% MPD, 3 mM spermine, 50 mM Na-cacodylate pH 7.0, 20 mM NaCl