6Q3K
Engineered Human HLA_A2 MHC Class I molecule in complex with NV9 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.158, 80.575, 109.693 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.940 - 1.500 |
| R-factor | 0.17552 |
| Rwork | 0.174 |
| R-free | 0.19955 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mre |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.508 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rpim | 0.055 | |
| Number of reflections | 81571 | |
| <I/σ(I)> | 7.3 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 5 mM cobalt chloride, 5 mM cadmium chloride, 5 mM magnesium chloride, 5 mM nickel chloride, 0.1 M HEPES pH 7.5, 12 % PEG 3350. |
