7JKS

Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2411a 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	2019-03-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	108.920, 188.330, 45.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.298 - 3.450
R-factor	0.2852
Rwork	0.283
R-free	0.33170
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 (1.14-3260-000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.510
High resolution limit [Å]	3.419	9.350	3.450
Rmerge	0.123	0.056	0.732
Rmeas	0.140	0.067	0.839
Rpim	0.065	0.036	0.397
Number of reflections	12487	665	503
<I/σ(I)>	6.4
Completeness [%]	91.9	85.9	75.9
Redundancy	3.8	3	3.3
CC(1/2)		0.995	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	12 % PEG3350, 100 mM MgCl2, 2 M NaCl and 100 mM Imidazole, pH 6.5. 15 % 2R,3R-butanediol as cryoprotectant