6Z9W
Human Class I Major Histocompatibility Complex, A02 allele, presenting LLGWVFAQV
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 | 2017-10-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.725, 69.208, 88.617 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.940 - 2.700 |
| R-factor | 0.2036 |
| Rwork | 0.200 |
| R-free | 0.28060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5eul |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.537 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.940 | 29.850 | 2.770 |
| High resolution limit [Å] | 2.700 | 12.080 | 2.700 |
| Rmerge | 0.212 | 0.063 | 1.392 |
| Rmeas | 0.230 | 0.069 | 1.496 |
| Rpim | 0.088 | 0.028 | 0.543 |
| Total number of observations | 767 | 5772 | |
| Number of reflections | 19779 | 142 | 768 |
| <I/σ(I)> | 7.8 | 17.7 | 1.4 |
| Completeness [%] | 99.8 | 94.1 | 99.9 |
| Redundancy | 6.9 | 5.4 | 7.5 |
| CC(1/2) | 0.991 | 0.997 | 0.625 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 295 | PACT premier screen, condition D02: 0.1M MMT buffer, 25% PEG 1500 |
