6UZ1
Noncanonical binding of single-chain A6 TCR variant S3-4 in complex with Tax/HLA-A2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-27 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 |
| Unit cell lengths | 236.650, 236.650, 63.146 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.720 - 3.140 |
| R-factor | 0.192 |
| Rwork | 0.189 |
| R-free | 0.23940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ftv |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.468 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.150 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.276 | 1.978 |
| Rmeas | 0.289 | 2.082 |
| Rpim | 0.087 | 0.648 |
| Number of reflections | 37072 | 1889 |
| <I/σ(I)> | 14.7 | |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 11 | 10.2 |
| CC(1/2) | 0.803 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 10%w/v Polyethylene glycol 20,000, 100mMMES, pH 6.5 |
