30GR

DOTAM-TCB: Universal Small Molecule-Guided Hapten- and T Cell Bispecfic Antibodies for Cancer Immunotherapy

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00005
Spacegroup name	P 21 21 21
Unit cell lengths	56.183, 66.641, 105.563
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.350 - 1.450
R-factor	0.1814
Rwork	0.180
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.927
Data reduction software	XDS
Data scaling software	SADABS
Phasing software	PHASER
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	105.600	1.550
High resolution limit [Å]	1.450	1.450
Rmerge	0.080	0.760
Number of reflections	70926	12646
<I/σ(I)>	10.98
Completeness [%]	99.8
Redundancy	7.31
CC(1/2)	0.999	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Tris, pH 8.5, 0.2M MgCl2, 20 % (w(/v) PEG1000