6ULR
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 | 2018-06-22 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.031, 73.998, 107.899 |
| Unit cell angles | 90.00, 101.46, 90.00 |
Refinement procedure
| Resolution | 39.820 - 3.200 |
| R-factor | 0.2238 |
| Rwork | 0.222 |
| R-free | 0.26210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nt6 6avg |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.514 |
| 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] | 39.827 | 3.400 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.174 | 0.488 |
| Number of reflections | 17905 | 874 |
| <I/σ(I)> | 25 | 9.3 |
| Completeness [%] | 95.9 | |
| Redundancy | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 22% PEG 3350, 0.1M MOPS pH 7.1 and 0.25M MgSO4 |
