9OAO

Crystal structure of antibody Fab G001-0087 from IAVI G001 human trial in complex with a germline-targeting gp120 engineered outer domain eOD-GT8-mingly

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	I 2 2 2
Unit cell lengths	102.500, 136.171, 152.944
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.740 - 2.580
R-factor	0.239
Rwork	0.238
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.550
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.580	2.580
Number of reflections	33387	1503
<I/σ(I)>	12.3
Completeness [%]	99.3
Redundancy	10.5
CC(1/2)	0.980	0.429

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% (w/v) PEG 3000, 0.1 M sodium citrate pH 5.5, with addition of 10% (v/v) ethylene glycol