7AMS
Crystal structure of the complex of the KFN mutant of HuJovi-1 Fab with human TRBC2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.840, 91.160, 123.320 |
| Unit cell angles | 90.00, 94.09, 90.00 |
Refinement procedure
| Resolution | 47.640 - 2.419 |
| R-factor | 0.1822 |
| Rwork | 0.180 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6*** |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.040 |
| Data reduction software | xia2 |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.400 | 2.460 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.175 | |
| Number of reflections | 48522 | 2351 |
| <I/σ(I)> | 7 | 1.1 |
| Completeness [%] | 99.9 | |
| Redundancy | 5 | |
| CC(1/2) | 0.990 | 0.713 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 295 | Equimolar amounts of A6 TCR C2 and Fab in PBS. Concentration of complex 9.3 mg/ml. 9% PEG 8000, 0.1M sodium cacodylate pH 6.2, 5 mM ZnCl2, 2% benzamidine HCl. |
