8P6I
Crystal structure of the 139H2 Fab fragment bound to Muc1 peptide epitope
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-18 |
| Detector | DECTRIS EIGER2 X CdTe 9M |
| Wavelength(s) | 0.6199 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 211.833, 42.757, 129.064 |
| Unit cell angles | 90.00, 122.31, 90.00 |
Refinement procedure
| Resolution | 56.117 - 2.500 |
| Rwork | 0.203 |
| R-free | 0.25380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.325 |
| Data reduction software | xia2.multiplex |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.117 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.387 | 1.813 |
| Rmeas | 0.399 | 1.876 |
| Rpim | 0.093 | 0.478 |
| Number of reflections | 34554 | 3836 |
| <I/σ(I)> | 9 | 0.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 18.2 | 15.3 |
| CC(1/2) | 0.988 | 0.689 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 0.2M NaCl 20%w/v PEG 8K 0.1M Na Phos Cit pH 4.2 |
