8TL8

Structure of Orthoreovirus RNA Chaperone SigmaNS R6A mutant in complex with bile acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	273
Detector technology	PIXEL
Collection date	2021-05-05
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1
Spacegroup name	P 41
Unit cell lengths	54.129, 54.129, 305.525
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.220 - 3.200
R-factor	0.2216
Rwork	0.220
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.584
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.380	3.210	3.150
High resolution limit [Å]	3.100	3.150	3.100
Rmerge	0.031
Rmeas	0.044	1.030	1.242
Rpim	0.031	0.346	0.409
Number of reflections	12953	940	850
<I/σ(I)>	18.04
Completeness [%]	81.7
Redundancy	1
CC(1/2)		0.684	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.2% colic acid derivative mix, 0.1 M Buffer System 3 (pH 8.5), and 30% Precipitant Mix 3 (Molecular Dimensions)