9BTZ
Structure of human MAIT A-F7 TCR in complex with human MR1-nicotinaldehyde
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 214.567, 69.621, 143.344 |
| Unit cell angles | 90.00, 104.17, 90.00 |
Refinement procedure
| Resolution | 49.840 - 3.000 |
| R-factor | 0.1958 |
| Rwork | 0.193 |
| R-free | 0.25480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.995 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.840 | 3.107 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 169305 | 15947 |
| <I/σ(I)> | 9.06 | |
| Completeness [%] | 97.8 | |
| Redundancy | 4.1 | |
| CC(1/2) | 0.990 | 0.851 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | PEG 3350, Na acetate, BTP |
