9MZ6

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 VENTURE
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-21
Detector	Bruker PHOTON III
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	45.951, 87.176, 131.677
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.810 - 2.500
R-factor	0.1948
Rwork	0.190
R-free	0.24070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.557
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHENIX
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.810	2.560
High resolution limit [Å]	2.500	2.500
Number of reflections	18997	1317
<I/σ(I)>	11.3
Completeness [%]	99.7
Redundancy	8.3
CC(1/2)	0.973	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.17 M Ammonium sulfate, 0.085 M Sodium cacodylate trihydrate pH 6.5, 25.5% w/v Polyethylene glycol 8,000, 15% v/v Glycerol