8UIW

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-08
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.000300
Spacegroup name	P 1
Unit cell lengths	65.792, 77.438, 95.848
Unit cell angles	87.19, 88.43, 88.05

Refinement procedure

Resolution	95.700 - 2.770
R-factor	0.212
Rwork	0.211
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.357
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]	95.700	2.860
High resolution limit [Å]	2.770	2.770
Rmerge	0.052	1.748
Rmeas	0.057	1.935
Rpim	0.025	0.823
Number of reflections	87020	8106
<I/σ(I)>	18.6
Completeness [%]	93.6	90.3
Redundancy	5.6	5.3
CC(1/2)	0.993	0.524

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