4WJ5
Structure of HLA-A2 in complex with an altered peptide ligands based on Mart-1 variant epitope
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-08-11 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.180, 87.140, 79.194 |
| Unit cell angles | 90.00, 90.15, 90.00 |
Refinement procedure
| Resolution | 19.940 - 1.650 |
| R-factor | 0.1564 |
| Rwork | 0.155 |
| R-free | 0.17870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x70 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.687 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 79.194 | 19.936 | 1.740 |
| High resolution limit [Å] | 1.650 | 5.220 | 1.650 |
| Rmerge | 0.023 | 0.483 | |
| Rmeas | 0.049 | ||
| Rpim | 0.026 | 0.014 | 0.301 |
| Total number of observations | 346375 | 11775 | 52522 |
| Number of reflections | 102600 | ||
| <I/σ(I)> | 17 | 48 | 2.7 |
| Completeness [%] | 99.6 | 97.7 | 99.8 |
| Redundancy | 3.4 | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | Good diffracting crystals were obtained by streak seeding |
