7OW3
Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVVGAGGVGK)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.854, 117.028, 110.643 |
| Unit cell angles | 90.00, 99.30, 90.00 |
Refinement procedure
| Resolution | 79.960 - 2.460 |
| R-factor | 0.2296 |
| Rwork | 0.228 |
| R-free | 0.25954 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hn7 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.686 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.960 | 2.500 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Rmerge | 0.189 | 1.147 |
| Rmeas | 0.204 | 1.231 |
| Rpim | 0.074 | 0.440 |
| Number of reflections | 65854 | 3282 |
| <I/σ(I)> | 9.3 | 2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.5 | 7.8 |
| CC(1/2) | 0.990 | 0.562 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium sulfate, 0.1 M Sodium cacodylate pH 6, 25% PEG 4000 |
