9ZGA

Crystal structure of DH511.12P Fab in complex with HIV-1 gp41 MPER peptide and phosphatidic acid (06:0 PA); double-lipid form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92019
Spacegroup name	P 31 2 1
Unit cell lengths	73.527, 73.527, 230.411
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.880 - 1.970
R-factor	0.2277
Rwork	0.226
R-free	0.26430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.127
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]	32.900	2.000
High resolution limit [Å]	1.970	1.970
Number of reflections	52310	2553
<I/σ(I)>	9.4
Completeness [%]	99.7
Redundancy	20.4
CC(1/2)	0.997	0.354

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG3350, potassium iodide