2PYE
Crystal Structures of High Affinity Human T-Cell Receptors Bound to pMHC RevealNative Diagonal Binding Geometry TCR Clone C5C1 Complexed with MHC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-05 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.752, 52.907, 119.904 |
| Unit cell angles | 90.00, 97.94, 90.00 |
Refinement procedure
| Resolution | 118.680 - 2.300 |
| R-factor | 0.19642 |
| Rwork | 0.192 |
| R-free | 0.28333 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f53 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.497 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 118.680 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.151 | 0.794 |
| Total number of observations | 3701 | |
| Number of reflections | 38083 | |
| <I/σ(I)> | 4.4 | 1.3 |
| Completeness [%] | 91.3 | 84.6 |
| Redundancy | 2.9 | 2.8 |
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 |
