3PWP
The complex between TCR A6 and human Class I MHC HLA-A2 with the bound HuD peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 224.006, 49.065, 93.711 |
| Unit cell angles | 90.00, 90.07, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.690 |
| R-factor | 0.2009 |
| Rwork | 0.198 |
| R-free | 0.25870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ao7 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.690 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.750 |
| High resolution limit [Å] | 2.690 | 7.220 | 2.690 |
| Rmerge | 0.078 | 0.039 | 0.370 |
| Number of reflections | 27038 | ||
| <I/σ(I)> | 17 | ||
| Completeness [%] | 94.4 | 99.5 | 63.2 |
| Redundancy | 3.6 | 3.5 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 30% PEG3350, 0.1M TRIS, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
