7V3Q

Crystal structure of anti-MUC1 antibody 16A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-09-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	43.632, 126.696, 158.201
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.680 - 2.980
R-factor	0.2203
Rwork	0.218
R-free	0.26370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yhy
RMSD bond length	0.004
RMSD bond angle	0.838
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]	48.680	3.090
High resolution limit [Å]	2.980	2.980
Rmeas	0.184	0.728
Rpim	0.086	0.350
Number of reflections	18236	1686
<I/σ(I)>	9.1	2.1
Completeness [%]	97.7	92.3
Redundancy	4.1	3.9
CC(1/2)	0.970	0.707

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