9BDH

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-24
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97741
Spacegroup name	P 31 2 1
Unit cell lengths	196.959, 196.959, 93.233
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.240 - 3.000
R-factor	0.2698
Rwork	0.269
R-free	0.29040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.538
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	3.050
High resolution limit [Å]	3.000	3.000
Number of reflections	41850	3894
<I/σ(I)>	5.9
Completeness [%]	100.0	100
Redundancy	7.5	7.5
CC(1/2)	0.973	0.308

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	2M Ammonium Sulfate