8D01

The domain-swaped dimer of the HIV-1 CD4bs targeting antibody 21N13

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	C 1 2 1
Unit cell lengths	260.367, 45.151, 84.610
Unit cell angles	90.00, 98.61, 90.00

Refinement procedure

Resolution	47.680 - 2.460
R-factor	0.1911
Rwork	0.189
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	F105
RMSD bond length	0.002
RMSD bond angle	0.537
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.460	6.780	2.500
Rmerge	0.346	0.129	1.671
Rmeas	0.379	0.141	1.836
Rpim	0.151	0.056	0.752
Number of reflections	34904	1864	1698
<I/σ(I)>	4.8
Completeness [%]	99.9	99.8	99.9
Redundancy	6.1	6	5.8
CC(1/2)		0.987	0.349

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.237M potassium thiocyanate, 10 %(w/v) polyethylene glycol 3350