2P5W
Crystal structures of high affinity human T-cell receptors bound to pMHC reveal native diagonal binding geometry
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 | 2004-06-17 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.590, 52.325, 118.932 |
| Unit cell angles | 90.00, 98.13, 90.00 |
Refinement procedure
| Resolution | 24.800 - 2.200 |
| R-factor | 0.16941 |
| Rwork | 0.165 |
| R-free | 0.24456 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f53 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.711 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.805 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.145 | 0.510 |
| Number of reflections | 46229 | |
| <I/σ(I)> | 4.3 | 1.5 |
| Completeness [%] | 99.3 | 99.5 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 293 | 85 MM HEPES, 8.5% ISO-PROPANOL, 17% PEG4000, 15% GLYCEROL, PH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 7.50 |
