9ZGD

Crystal structure of VRC42.01 Fab in the presence of HIV-1 gp41 MPER peptide and phosphatidic acid (06:0 PA); unliganded form

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	C 1 2 1
Unit cell lengths	199.443, 73.524, 44.214
Unit cell angles	90.00, 99.43, 90.00

Refinement procedure

Resolution	35.660 - 3.100
R-factor	0.2103
Rwork	0.209
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.660
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	3.190
High resolution limit [Å]	3.100	3.140
Number of reflections	11021	537
<I/σ(I)>	10
Completeness [%]	97.8
Redundancy	4.2
CC(1/2)	0.943	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG6000, citric acid, lithium chloride