9ZG8

Crystal structure of DH511.1 Fab crystallized in the presence of HIV-1 gp41 MPER peptide and phosphatidic acid (06:0 PA); unbound 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 1 21 1
Unit cell lengths	39.220, 72.745, 93.013
Unit cell angles	90.00, 100.04, 90.00

Refinement procedure

Resolution	34.110 - 1.660
R-factor	0.1748
Rwork	0.173
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.995
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]	34.110	1.690
High resolution limit [Å]	1.660	1.660
Number of reflections	60983	3056
<I/σ(I)>	7.4
Completeness [%]	100.0
Redundancy	7
CC(1/2)	0.996	0.312

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG8000, phosphate citrate, sodium chloride