7VAZ

Crystal structure of antibody 14A in complex with MUC1 glycopeptide(GlycoS)

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	2017-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	46.558, 226.620, 71.071
Unit cell angles	90.00, 107.69, 90.00

Refinement procedure

Resolution	44.360 - 2.730
R-factor	0.2124
Rwork	0.209
R-free	0.26350
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]	44.360	2.830
High resolution limit [Å]	2.730	2.730
Rmeas	0.131	0.485
Rpim	0.050	0.208
Number of reflections	36287	3078
<I/σ(I)>	10.8
Completeness [%]	98.4
Redundancy	6.6
CC(1/2)	0.997	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	0.1 M Sodium citrate pH 5.5, Isopropanol 10%, PEG 4000 20%