5TEZ
TCR F50 recgonizing M1-HLA-A2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2016-03-04 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.266, 71.053, 100.693 |
| Unit cell angles | 90.00, 96.22, 90.00 |
Refinement procedure
| Resolution | 37.924 - 1.700 |
| R-factor | 0.191 |
| Rwork | 0.190 |
| R-free | 0.22410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oga |
| RMSD bond length | 0.042 |
| RMSD bond angle | 1.637 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 37.924 | 37.920 | 1.550 |
| High resolution limit [Å] | 1.520 | 8.330 | 1.520 |
| Rmerge | 0.351 | 0.055 | 8.812 |
| Number of reflections | 136200 | ||
| <I/σ(I)> | 5.6 | ||
| Completeness [%] | 95.6 | 99 | 44.3 |
| Redundancy | 6.6 | 7.1 | 3 |
| CC(1/2) | 0.990 | 0.996 | 0.069 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | PEG 3350, 0.1 M imidazole (pH 8.0), and 0.2 M sodium malonate |
