7SX6

Crystal structure of broadly neutralizing antibody N49P9.3 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 BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1
Unit cell lengths	62.209, 68.211, 115.055
Unit cell angles	90.26, 102.35, 90.38

Refinement procedure

Resolution	35.460 - 3.400
R-factor	0.2367
Rwork	0.234
R-free	0.28680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6oz3
RMSD bond length	0.004
RMSD bond angle	0.923
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.460
High resolution limit [Å]	3.400	3.400
Rmerge	0.117
Rpim	0.074	0.725
Number of reflections	25011	1163
<I/σ(I)>	15.4	1.4
Completeness [%]	97.6	92.6
Redundancy	3.4	2.9
CC(1/2)	0.988	0.513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	10% PEG 4000 0.1 M HEPES pH 7.5 0.1 M magnesium chloride