4LSS

Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 clade A strain KER_2018_11 gp120

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	IMAGE PLATE
Collection date	2011-08-03
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	54.639, 65.267, 259.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.393 - 2.590
R-factor	0.1953
Rwork	0.192
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.891
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.630
High resolution limit [Å]	2.590	7.020	2.590
Rmerge	0.127	0.044	0.727
Number of reflections	27290
<I/σ(I)>	5.9
Completeness [%]	90.6	98.5	68.9
Redundancy	6.8	7.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M HEPES, 8% PEG 4000, 6.5% isopropanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K