2PYF
Crystal Structures of High Affinity Human T-Cell Receptors Bound to pMHC RevealNative Diagonal Binding Geometry Unbound TCR Clone 5-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-05 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.964, 59.805, 81.799 |
| Unit cell angles | 90.00, 90.94, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.21348 |
| Rwork | 0.209 |
| R-free | 0.29484 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bnr |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.253 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.139 | 0.671 |
| Total number of observations | 2196 | |
| Number of reflections | 20741 | |
| <I/σ(I)> | 3.9 | 1.3 |
| Completeness [%] | 97.0 | 90.8 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 85 mM Na HEPES buffer pH7.5, 8.5 % iso-propanol, 17% PEG 4000, 15% glycerol, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
