8T29

Crystal structure of SCV PTE 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	2021-11-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	I 2 2 2
Unit cell lengths	77.437, 81.188, 321.188
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.690 - 3.130
R-factor	0.1846
Rwork	0.179
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.216
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.20.1)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	160.590	3.340
High resolution limit [Å]	3.120	3.120
Rmerge	0.063	2.163
Rmeas	0.068	2.358
Rpim	0.027
Number of reflections	18416	3226
<I/σ(I)>	14.6	0.8
Completeness [%]	99.7	98.6
Redundancy	6.6	6.3
CC(1/2)	0.999	0.577

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