5F6J

Crystal Structure of Tier 2 Neutralizing Antibody DH427 from a Rhesus Macaque in Complex with HIV-1 gp120 Core

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97916
Spacegroup name	P 64
Unit cell lengths	162.902, 162.902, 229.854
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	141.080 - 6.630
R-factor	0.2585
Rwork	0.256
R-free	0.30460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HIV strain ZM176.66 gp120 core from PDB Entry 4LST and separated Fv and Fc regions of DH427 Fab from PDB Entry 5F6H
RMSD bond length	0.009
RMSD bond angle	1.389
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	141.080	6.800
High resolution limit [Å]	6.630	6.630
Rmerge	0.273
Rmeas	0.312
Rpim	0.146
Total number of observations	78988
Number of reflections	6058
<I/σ(I)>	7.5	1.1
Completeness [%]	93.2	94.1
Redundancy	6.7	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	1.5M ammonium sulfate and 100 mM Tris, pH 8.0