4YDI

Crystal structure of broad and potently neutralizing VRC01-class antibody Z258-VRC27.01, isolated from human donor Z258, in complex with HIV-1 gp120 from clade A strain Q23.17

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	CCD
Collection date	2014-02-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000
Spacegroup name	C 2 2 2
Unit cell lengths	141.738, 172.253, 91.782
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.038 - 3.452
R-factor	0.2246
Rwork	0.222
R-free	0.27630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3se9
RMSD bond length	0.004
RMSD bond angle	1.021
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.570
High resolution limit [Å]	3.450	7.430	3.450
Rmerge	0.143	0.053	0.348
Rmeas	0.157	0.058	0.395
Rpim	0.064	0.022	0.177
Total number of observations	72734
Number of reflections	13262
<I/σ(I)>	7.8
Completeness [%]	87.6	99.6	58.1
Redundancy	5.5	6.4	3.5
CC(1/2)		0.998	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	4% PEG 400, 1.9 M (NH4)2SO4, 0.1M Tris-HCl, pH 8.5