6MFJ

Crystal structure of the ADCC potent antibody DH677.3 Fab elicited in the RV305 vaccine trial.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	81.658, 70.520, 84.305
Unit cell angles	90.00, 98.33, 90.00

Refinement procedure

Resolution	43.030 - 2.620
R-factor	0.20152
Rwork	0.199
R-free	0.26134
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qeg
RMSD bond length	0.007
RMSD bond angle	1.416
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.670
High resolution limit [Å]	2.620	2.620
Rmerge	0.150	0.391
Rpim	0.096	0.252
Number of reflections	28247	1351
<I/σ(I)>	13	2.6
Completeness [%]	98.0	98
Redundancy	3.4	3.2
CC(1/2)	0.990	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	20% PEG 3000 100 mM HEPES pH 7.5 200 mM sodium chloride