5U16
Structure of human MR1-2-OH-1-NA in complex with human MAIT A-F7 TCR
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 | CCD |
| Collection date | 2015-03-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.953 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 216.440, 69.850, 143.120 |
| Unit cell angles | 90.00, 104.35, 90.00 |
Refinement procedure
| Resolution | 69.327 - 2.000 |
| R-factor | 0.1754 |
| Rwork | 0.173 |
| R-free | 0.21910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4l4t |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.221 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.327 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.878 | |
| Number of reflections | 139855 | |
| <I/σ(I)> | 1.3 | 1.3 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.7 | 3.7 |
| CC(1/2) | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | BTP, PEG 3350, NaAc |
