8VRS

Mucin 16 peptide fused to MBP in complex with 4H11-scFv antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	183
Detector technology	PIXEL
Collection date	2020-08-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	59.810, 112.634, 110.808
Unit cell angles	90.00, 101.25, 90.00

Refinement procedure

Resolution	56.430 - 2.470
R-factor	0.1936
Rwork	0.192
R-free	0.23690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.385
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	112.630	2.540
High resolution limit [Å]	2.470	2.470
Rmerge	0.083	0.666
Rmeas	0.115	0.910
Rpim	0.079	0.617
Number of reflections	51394	4270
<I/σ(I)>	9.2	1.4
Completeness [%]	98.9	95.2
Redundancy	3.5	3.4
CC(1/2)	0.995	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	291	0.1M Sodium Citrate, pH 5.0, 10mM Barium Chloride, 27% PEG MME 5000