8T2A

Crystal structure of SCV PTE G18A mutant RNA in complex with Fab BL3-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	I 2 2 2
Unit cell lengths	77.368, 80.155, 323.018
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.300 - 3.170
R-factor	0.1902
Rwork	0.184
R-free	0.24320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.204
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	161.510	3.390
High resolution limit [Å]	3.170	3.170
Rmerge	0.045	2.220
Rmeas	0.049	2.417
Rpim	0.019	0.941
Number of reflections	17555	3108
<I/σ(I)>	17.2	0.7
Completeness [%]	99.9	100
Redundancy	6.7	6.5
CC(1/2)	0.999	0.494

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	298	0.2 M lithium sulfate monohydrate, 0.1 M tris pH 8.6, 20% w/v PEG 3350