8HRH

SN-131/1B2 anti-MUC1 antibody with a glycopeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-07
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 65 2 2
Unit cell lengths	84.590, 84.590, 271.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.766 - 2.070
Rwork	0.192
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kx1
RMSD bond length	0.005
RMSD bond angle	0.879
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.766	2.200
High resolution limit [Å]	2.070	2.070
Rmeas	0.127	0.758
Number of reflections	36078	5649
<I/σ(I)>	16.6	3.43
Completeness [%]	99.9	99.7
Redundancy	19.9	20.3
CC(1/2)	0.999	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	40% (w/v) PEG300, 5% (w/v) PEG1000, 0.1M Tris