7SX7

Crystal structure of broadly neutralizing antibody N49P9.3-FR3-3 Fab in complex with HIV-1 Clade A/E strain 93TH057 gp120 core

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	2020-01-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1
Unit cell lengths	60.367, 65.418, 112.381
Unit cell angles	90.02, 104.85, 90.02

Refinement procedure

Resolution	46.660 - 2.150
R-factor	0.2308
Rwork	0.229
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6oz3
RMSD bond length	0.004
RMSD bond angle	0.727
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.135	0.645
Rpim	0.135	0.645
Number of reflections	73767	2786
<I/σ(I)>	6.9	1
Completeness [%]	82.7	63.6
Redundancy	1.8	1.4
CC(1/2)	0.949	0.394

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	10% PEG 3350 0.1 M HEPES pH 7.0 0.1 M magnesium chloride