9ZG7

Crystal structure of DH511.1 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	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92015
Spacegroup name	P 21 21 21
Unit cell lengths	47.329, 73.089, 142.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.520 - 2.060
R-factor	0.2128
Rwork	0.211
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.727
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]	33.500	2.090
High resolution limit [Å]	2.060	2.060
Number of reflections	31389	1500
<I/σ(I)>	6
Completeness [%]	99.7
Redundancy	13.6
CC(1/2)	0.990	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG400, sodium citrate