8VM1
Structural Elucidation of the Mesothelin Mucin16 CA125 Interaction
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 | 2023-04-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.203, 73.237, 75.054 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.420 - 2.650 |
| R-factor | 0.25049 |
| Rwork | 0.248 |
| R-free | 0.29849 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.551 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| 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 | 2.700 |
| High resolution limit [Å] | 2.650 | 7.190 | 2.650 |
| Rmerge | 0.066 | 0.048 | 0.628 |
| Rmeas | 0.074 | 0.055 | 0.691 |
| Rpim | 0.034 | 0.026 | 0.283 |
| Total number of observations | 52276 | ||
| Number of reflections | 9868 | 547 | 480 |
| <I/σ(I)> | 20.9 | ||
| Completeness [%] | 99.0 | 95.8 | 100 |
| Redundancy | 5.3 | 4.2 | 5.8 |
| CC(1/2) | 0.992 | 0.997 | 0.822 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Bis-Tris, NH4CL, PEG3350 |
