6XRJ

Crystal structure of the disulfide linked DH717.1 Fab dimer, derived from a macaque HIV-1 vaccine-induced Env glycan-reactive neutralizing antibody B cell lineage

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	193.15
Detector technology	PIXEL
Collection date	2018-03-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 43 2 2
Unit cell lengths	201.587, 201.587, 154.327
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.710 - 3.150
R-factor	0.2464
Rwork	0.245
R-free	0.28220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ukn
RMSD bond length	0.012
RMSD bond angle	2.034
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.710	3.260
High resolution limit [Å]	3.147	3.147
Rmerge	0.166
Number of reflections	55412	5393
<I/σ(I)>	13.4	1.3
Completeness [%]	99.7	98.94
Redundancy	9	9.6
CC(1/2)	0.992	0.525

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	295.15	0.1M Citric acid pH3.5, 14% PEG 1000