9ISF

Crystal structure of nanobody 14 in complex with HSV-2 gD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 42 2 2
Unit cell lengths	107.605, 107.605, 129.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.120 - 3.720
R-factor	0.3031
Rwork	0.301
R-free	0.34740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	5.725
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	107.610	3.930
High resolution limit [Å]	3.720	3.720
Rmerge	0.425	1.779
Rmeas	0.442	1.851
Rpim	0.120	0.503
Total number of observations	108508	14243
Number of reflections	8197	1081
<I/σ(I)>	6.5	2.4
Completeness [%]	96.6
Redundancy	13.2	13.2
CC(1/2)	0.991	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289.15	0.2 M Ammonium citrate dibasic (pH 5.1) 20% w/v Polyethylene glycol 3350