7UCE

Structure of the anti-HIV-1 neutralizing antibody BG24 Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	66.603, 118.424, 119.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.300 - 2.250
R-factor	0.2059
Rwork	0.204
R-free	0.24530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lsu
RMSD bond length	0.005
RMSD bond angle	0.865
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.300	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.126	3.820
Rpim	0.063	1.340
Number of reflections	28013	2270
<I/σ(I)>	8	0.9
Completeness [%]	99.9	100
Redundancy	8.9	9.2
CC(1/2)	0.997	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.25 M potassium chloride, 18% polyethylene glycol PEG 3350