6KX1

Crystal structure of SN-101 mAb in complex with MUC1 glycopeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-05
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	159.920, 39.980, 63.870
Unit cell angles	90.00, 100.56, 90.00

Refinement procedure

Resolution	39.303 - 1.773
R-factor	0.1795
Rwork	0.177
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pz5
RMSD bond length	0.010
RMSD bond angle	1.117
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.880
High resolution limit [Å]	1.770	1.770
Rmeas	0.071	0.926
Number of reflections	38810	6165
<I/σ(I)>	15.3	1.97
Completeness [%]	99.6	98.5
Redundancy	4.98
CC(1/2)	0.999	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	300-350 mM NaSCN 20-30% PEG3350