7V7K

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-09-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	39.052, 136.622, 80.993
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.700 - 2.200
R-factor	0.2034
Rwork	0.201
R-free	0.25070
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]	39.700	2.280
High resolution limit [Å]	2.200	2.200
Rmeas	0.129	0.730
Rpim	0.072	0.490
Number of reflections	21331	1731
<I/σ(I)>	10.5
Completeness [%]	93.4
Redundancy	1.6
CC(1/2)	0.994	0.580

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%(w/v) PEG 6000