8I5C
Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 156.864, 156.889, 191.966 |
| Unit cell angles | 77.37, 78.13, 82.27 |
Refinement procedure
| Resolution | 49.820 - 3.340 |
| R-factor | 0.226 |
| Rwork | 0.224 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6uon 6dfv 6ovn 7z50 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.428 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.470 |
| High resolution limit [Å] | 3.340 | 3.350 |
| Rmerge | 0.199 | 0.814 |
| Number of reflections | 249244 | 24856 |
| <I/σ(I)> | 6.609 | |
| Completeness [%] | 99.0 | |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 1.0 M Ammonium citrate tribasic pH 7.0, 0.1 M BIS-TRIS propane pH 7.0 |
