9BDI

Crystal structure of HIV-1 MPER scaffold in complex with antibody Fab Ab45.2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0337
Spacegroup name	P 1
Unit cell lengths	37.617, 46.638, 178.352
Unit cell angles	86.67, 86.76, 77.04

Refinement procedure

Resolution	44.470 - 2.070
R-factor	0.2375
Rwork	0.235
R-free	0.28260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.611
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5127)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.110
High resolution limit [Å]	2.070	2.070
Number of reflections	63266	6109
<I/σ(I)>	8.9
Completeness [%]	88.6
Redundancy	3
CC(1/2)	0.983	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2M sodium chloride, 0.1M phosphate citrate and 20% PEG8000