5TE4

Crystal Structure of Broadly Neutralizing VRC01-class Antibody N6 in Complex with HIV-1 Clade G Strain X2088 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	CCD
Collection date	2015-12-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	64.764, 72.227, 218.123
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.185 - 2.750
R-factor	0.2111
Rwork	0.208
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.559
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

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	0.095	0.054	0.851
Rmeas	0.103	0.059
Rpim	0.041	0.023	0.603
Total number of observations	137618
Number of reflections	25646
<I/σ(I)>	10.1
Completeness [%]	87.5	98.2	50.9
Redundancy	5.4	6.2	2.1
CC(1/2)		0.997	0.141

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	6 % PEG3350, 20% MPD, 0.1 M Immidazole, pH 6.5 and 0.2 M (NH4)2SO4