5TE6

Crystal Structure of Broadly Neutralizing VRC01-class Antibody N6 in Complex with HIV-1 Clade AE Strain 93TH057 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	2015-02-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	64.692, 65.822, 238.012
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.140 - 2.400
R-factor	0.2294
Rwork	0.227
R-free	0.27820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.543
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	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.124	0.102	0.794
Rmeas	0.138	0.114	0.910
Rpim	0.060	0.050	0.434
Total number of observations	190962
Number of reflections	41099
<I/σ(I)>	8.8
Completeness [%]	97.0	95.7	84.3
Redundancy	4.6	4.9	3.6
CC(1/2)		0.985	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10 % w/v PEG 3350, 2 % (v/v) isopropanol, 0.1 M CaCl2, 0.1 M HEPES, pH 7.5