6TDO
Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.936, 80.914, 56.351 |
| Unit cell angles | 90.00, 112.74, 90.00 |
Refinement procedure
| Resolution | 51.970 - 1.650 |
| R-factor | 0.1876 |
| Rwork | 0.186 |
| R-free | 0.22370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6q3k |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.833 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.000 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.056 | 0.780 |
| Number of reflections | 52645 | 3642 |
| <I/σ(I)> | 11.3 | |
| Completeness [%] | 99.9 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.990 | 0.490 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M magnesium acetate, 0.1 M sodium cacodylate pH 6.5, and 20% PEG 800 |
