9ISH

Crystal structure of nanobody 32 in complex with HSV-2 gD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	55.639, 136.217, 136.317
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.280 - 2.880
R-factor	0.2213
Rwork	0.216
R-free	0.27640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	8.377
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.360	3.040
High resolution limit [Å]	2.880	2.880
Rmerge	0.166	1.023
Rmeas	0.174	1.076
Rpim	0.050	0.330
Total number of observations	281242	35344
Number of reflections	24241	3490
<I/σ(I)>	14.6	2.6
Completeness [%]	100.0
Redundancy	11.6	10.1
CC(1/2)	0.997	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289.15	0.1 M MES monohydrate (pH 6.0) 14% w/v Polyethylene glycol 4000