9MMJ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-28
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	45.902, 87.507, 131.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.610 - 1.780
R-factor	0.1607
Rwork	0.159
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.139
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.610	1.810
High resolution limit [Å]	1.780	1.780
Number of reflections	51826	2582
<I/σ(I)>	26.93	3.8
Completeness [%]	99.8
Redundancy	6.6	5.2
CC(1/2)	0.998	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.18 M Ammonium sulfate, 0.09 M Sodium acetate trihydrate pH 4.6, 27% w/v Polyethylene glycol monomethyl ether 2,000, 10% v/v Glycerol