6VTW

De novo protein design enables the precise induction of RSV-neutralizing antibodies

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 32 2 1
Unit cell lengths	148.224, 148.224, 45.046
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.060 - 2.600
R-factor	0.2147
Rwork	0.207
R-free	0.28270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o41
RMSD bond length	0.012
RMSD bond angle	1.926
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.060	2.693
High resolution limit [Å]	2.600	2.600
Rmerge	0.073	0.854
Rmeas	0.079	0.963
Rpim	0.030	0.433
Number of reflections	17472	1567
<I/σ(I)>	17.14	1.75
Completeness [%]	91.0	89.58
Redundancy	6.5	4.7
CC(1/2)	0.987	0.116

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	containing 0.2 M Magnesium acetate, 0.1 M Sodium cacodylate pH 6.5, 20 %(w/v) PEG 8000