5TE7

Crystal Structure of Broadly Neutralizing VRC01-class Antibody N6 in Complex with HIV-1 Clade C Strain DU172.17 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	2015-03-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	62.675, 65.547, 241.522
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.523 - 2.150
R-factor	0.1912
Rwork	0.190
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5te6
RMSD bond length	0.003
RMSD bond angle	0.539
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.096	0.062	0.548
Rmeas	0.110
Rpim	0.052
Total number of observations	223202
Number of reflections	52871
<I/σ(I)>	9.8
Completeness [%]	96.2	95.3	90.2
Redundancy	4.2	4.1	3.1
CC(1/2)		0.993	0.706

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	7 % w/v PEG 4000, 4 % (v/v) isopropanol, 2 % (v/v) benzamidine, 0.1 M HEPES, pH 7.5