7V64

Crystal structure of Antibody 16A in complex with MUC1 Glycopeptide(GlycoT)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	39.534, 81.225, 137.331
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.610 - 1.560
R-factor	0.1803
Rwork	0.179
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yhy
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.610	1.620
High resolution limit [Å]	1.560	1.560
Rmeas		0.855
Rpim		0.258
Number of reflections	62756	5598
<I/σ(I)>	23.7	2.2
Completeness [%]	98.1
Redundancy	6.4
CC(1/2)	0.999	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	1.0 M Lithium chloride, 0.1 M Tris pH 8.5, 20% PEG 6000