7NMD
Human Major Histocompatibility Complex A24 Allele presenting QLPRLFPLL
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 | 2019-01-17 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.543, 48.662, 123.141 |
| Unit cell angles | 90.00, 105.45, 90.00 |
Refinement procedure
| Resolution | 74.010 - 2.250 |
| R-factor | 0.2121 |
| Rwork | 0.209 |
| R-free | 0.26520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bck |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.496 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.010 | 73.990 | 2.310 |
| High resolution limit [Å] | 2.250 | 10.060 | 2.250 |
| Rmerge | 0.149 | 0.057 | 1.217 |
| Rmeas | 0.174 | 0.069 | 1.430 |
| Rpim | 0.089 | 0.038 | 0.741 |
| Total number of observations | 1843 | 11406 | |
| Number of reflections | 43149 | 543 | 3179 |
| <I/σ(I)> | 5.4 | 13.6 | 1 |
| Completeness [%] | 99.0 | 99.6 | 98.3 |
| Redundancy | 3.7 | 3.4 | 3.6 |
| CC(1/2) | 0.984 | 0.968 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG 4000, 0.1 M TRIS (pH 7.5), 15% glycerol. |
