6Z9X
Human Class I Major Histocompatibility Complex, A02 allele, presenting LLS (t-butyl)Y FGTPT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 206.240, 49.350, 115.900 |
| Unit cell angles | 90.00, 123.85, 90.00 |
Refinement procedure
| Resolution | 51.340 - 2.680 |
| R-factor | 0.1886 |
| Rwork | 0.186 |
| R-free | 0.24090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5eul |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.650 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.340 | 51.340 | 2.830 |
| High resolution limit [Å] | 2.680 | 8.950 | 2.700 |
| Rmerge | 0.173 | 0.064 | 0.760 |
| Rmeas | 0.216 | 0.077 | 0.961 |
| Rpim | 0.127 | 0.043 | 0.580 |
| Total number of observations | 1738 | 6815 | |
| Number of reflections | 22144 | 616 | 2970 |
| <I/σ(I)> | 6 | 9.6 | 2.7 |
| Completeness [%] | 81.9 | 77.4 | 83.4 |
| Redundancy | 2.5 | 2.8 | 2.3 |
| CC(1/2) | 0.916 | 0.987 | 0.207 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 25% PEG 4000, 0.1 M Cacodylate buffer, 5% glycerol |
