6ULK
Molecular basis for tumor infiltrating TCR recognition of hotspot KRAS-G12D mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.630, 77.053, 62.307 |
| Unit cell angles | 90.00, 120.60, 90.00 |
Refinement procedure
| Resolution | 33.440 - 1.900 |
| R-factor | 0.2238 |
| Rwork | 0.221 |
| R-free | 0.26960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nt6 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.704 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.440 | 1.900 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.112 | 0.395 |
| Number of reflections | 30790 | 1574 |
| <I/σ(I)> | 21.8 | |
| Completeness [%] | 99.5 | |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Bis-Tris pH 6.5, 0.05M CaCl2 dihydrate, 30% PEG MME 500 |
