9O6C

X-ray structure of a bivalent diabody of 8B6, a murine monoclonal antibody specific for the human serotonin transporter

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]	80
Detector technology	PIXEL
Collection date	2016-04-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	78.470, 78.470, 253.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.631 - 2.575
R-factor	0.205
Rwork	0.199
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.715
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_1634)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.631	2.640
High resolution limit [Å]	2.575	2.575
Rmeas	0.452
Number of reflections	29563	2122
<I/σ(I)>	4.67
Completeness [%]	99.8
Redundancy	14.8
CC(1/2)	0.995	0.200

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M MES pH 6, 22% PEG 4000, 0.1 M MgAcetate