7Q98
MHC Class I A02 Allele presenting NLSALGIFST
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 118.247, 169.693, 248.827 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 85.000 - 2.500 |
| R-factor | 0.2367 |
| Rwork | 0.235 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hg1 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.404 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 85.000 | 84.850 | 2.550 |
| High resolution limit [Å] | 2.500 | 13.230 | 2.500 |
| Rmerge | 0.087 | 0.032 | 0.523 |
| Rmeas | 0.096 | 0.036 | 0.577 |
| Rpim | 0.040 | 0.016 | 0.241 |
| Total number of observations | 479533 | 3584 | 24803 |
| Number of reflections | 85745 | 640 | 4408 |
| <I/σ(I)> | 10 | 12.6 | 3 |
| Completeness [%] | 99.2 | 97.3 | 97.2 |
| Redundancy | 5.6 | 5.6 | 5.6 |
| CC(1/2) | 0.998 | 0.999 | 0.874 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 25% PEG 8000, 0.2 M Ammonium Sulphate, Sodium Cacodylate buffer 0.1 M, pH 6.5 |
