9P4C

Crystal structure of Mesothelin C-terminal peptide-RO4 Fab complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-02
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	92.960, 98.835, 66.595
Unit cell angles	90.00, 131.97, 90.00

Refinement procedure

Resolution	24.760 - 1.520
R-factor	0.1509
Rwork	0.149
R-free	0.17980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.067
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.570
High resolution limit [Å]	1.520	1.520
Rpim	0.036	0.234
Number of reflections	64882	4826
<I/σ(I)>	19
Completeness [%]	94.3
Redundancy	5.6
CC(1/2)	0.993	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1M Bis-Tris, pH 6.5 and 16% PEG 10000