9MZ8

Crystal Structure of 19b Fab bound to the third variable (V3) loop peptide from the HIV-1 5768x-p27 envelope (Env) glycoprotein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	46.445, 82.407, 135.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.430 - 1.740
R-factor	0.1917
Rwork	0.190
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.983
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.430	1.770
High resolution limit [Å]	1.740	1.740
Number of reflections	54378	2651
<I/σ(I)>	16.9
Completeness [%]	99.9
Redundancy	13.1
CC(1/2)	0.999	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M Lithium sulfate monohydrate, 20% w/v Polyethylene glycol 3,350, pH 6.0