7JKT

Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2413a in complex with HIV-1 gp120 core

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	67.252, 67.857, 240.585
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.251 - 2.750
R-factor	0.1998
Rwork	0.197
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xvs
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.750	7.460	2.750
Rmerge	0.109	0.054	0.618
Rmeas	0.120	0.060	0.682
Rpim	0.048	0.025	0.284
Number of reflections	28816	1506	1422
<I/σ(I)>	6.5
Completeness [%]	97.2	91.4	97.7
Redundancy	6	5.3	5.4
CC(1/2)		0.996	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	5.3 % PEG 8000, 130 mM (NH4)2SO4, 100 mM HEPES, pH 7.5, and 2.2 % isopropanol.