9ZG9

Crystal structure of DH511.12P Fab in complex with HIV-1 gp41 MPER peptide and phosphatidic acid (06:0 PA); single-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 1 21 1
Unit cell lengths	76.095, 63.382, 121.398
Unit cell angles	90.00, 97.28, 90.00

Refinement procedure

Resolution	33.910 - 2.210
R-factor	0.193
Rwork	0.190
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.143
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]	33.910	2.250
High resolution limit [Å]	2.210	2.210
Number of reflections	57869	2906
<I/σ(I)>	6.4
Completeness [%]	100.0
Redundancy	7.1
CC(1/2)	0.988	0.320

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG10000, HEPES, ethylene glycol