7V8Q

Crystal structure of antibody 14A 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	42.890, 207.373, 224.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.630 - 3.200
R-factor	0.2026
Rwork	0.200
R-free	0.24420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yhy
RMSD bond length	0.004
RMSD bond angle	0.860
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]	39.630	3.320
High resolution limit [Å]	3.200	3.200
Rmeas	0.315	0.754
Rpim	0.091	0.249
Number of reflections	33766	3260
<I/σ(I)>	5	2
Completeness [%]	98.4
Redundancy	6.3
CC(1/2)	0.989	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	289	Crystal screen D4=JCSG F7, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 20% v/v 2-Propanol, 20% w/v Polyethylene glycol 4000