8CYH

Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	I 2 2 2
Unit cell lengths	65.112, 124.862, 302.748
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.380 - 3.380
R-factor	0.2315
Rwork	0.230
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f3f
RMSD bond length	0.006
RMSD bond angle	1.140
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.410
High resolution limit [Å]	3.350	9.080	3.350
Rmerge	0.149	0.049	0.934
Rmeas	0.164	0.055	1.035
Rpim	0.068	0.025	0.438
Total number of observations	101701
Number of reflections	17506	953	842
<I/σ(I)>	8.4
Completeness [%]	98.7	96.9	96.1
Redundancy	5.8	4.7	5.6
CC(1/2)		0.996	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	Tris (8.0), sodium citrate, Peg3350