9ZGB

Crystal structure of VRC42.01 Fab in complex with HIV-1 gp41 MPER peptide and phosphatidic acid (06:0 PA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	I 2 2 2
Unit cell lengths	74.401, 128.375, 207.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.010 - 3.450
R-factor	0.229
Rwork	0.227
R-free	0.26920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.627
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.500
High resolution limit [Å]	3.440	3.440
Number of reflections	13274	650
<I/σ(I)>	8.2
Completeness [%]	98.4
Redundancy	6.3
CC(1/2)	0.978	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG200, CAPS, ammonium sulfate