5E6I
Crystal structure of TCR PF8 in complex with flu MP(58-66) epitope presented by HLA-A2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 71.853, 123.614, 139.036 |
| Unit cell angles | 83.66, 74.87, 73.17 |
Refinement procedure
| Resolution | 36.562 - 4.000 |
| R-factor | 0.2626 |
| Rwork | 0.259 |
| R-free | 0.33760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vlj 3vxt |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.416 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK (9.9.8.6 W9RSSI) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.160 | 46.160 | 4.140 |
| High resolution limit [Å] | 4.000 | 8.600 | 4.000 |
| Rmerge | 0.164 | 0.084 | 0.573 |
| Total number of observations | 70283 | 7226 | 6992 |
| Number of reflections | 34067 | ||
| <I/σ(I)> | 2.9 | 9.6 | 1 |
| Completeness [%] | 91.5 | 92.3 | 91.3 |
| Redundancy | 2.05 | 2.04 | 2.08 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M immidazole pH8, 0.2M calcium acetate, 10%(v/v) PEG8000 |
