9RA5

Respiratory syncytial virus fusion protein N-terminal heptad repeat domain in complex with Double stapled peptide 3/4i

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	77
Detector technology	PIXEL
Collection date	2022-10-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980111
Spacegroup name	I 21 3
Unit cell lengths	78.320, 78.320, 78.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.300 - 1.625
R-factor	0.1941
Rwork	0.193
R-free	0.20750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.860
Data reduction software	XDS (BUILT 20250327)
Data scaling software	Aimless (0.8.2)
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.650
High resolution limit [Å]	1.625	1.625
Rmerge	0.068	6.572
Rmeas	0.069	6.653
Rpim	0.011	1.035
Number of reflections	10226	533
<I/σ(I)>	27	0.8
Completeness [%]	100.0	100
Redundancy	40.1	41.2
CC(1/2)	1.000	0.298

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.01M MgCl2 0.05M KCl 15% PEG6000