6Z9V
Human Class I Major Histocompatibility Complex, A02 allele, presenting IIGWMWIPV
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 PILATUS3 6M |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 85.190, 85.190, 232.550 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 73.780 - 2.010 |
| R-factor | 0.1778 |
| Rwork | 0.176 |
| R-free | 0.21640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5eul |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.794 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 73.780 | 73.780 | 2.060 |
| High resolution limit [Å] | 2.010 | 8.990 | 2.010 |
| Rmerge | 0.142 | 0.032 | 1.755 |
| Rmeas | 0.149 | 0.033 | 1.838 |
| Rpim | 0.044 | 0.010 | 0.541 |
| Total number of observations | 723829 | 7981 | 54388 |
| Number of reflections | 64808 | 807 | 4746 |
| <I/σ(I)> | 13.4 | 51.7 | 1.5 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 11.2 | 9.9 | 11.5 |
| CC(1/2) | 0.999 | 1.000 | 0.605 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | PACT premier screen, condition G06: 0.2M Na Formate, 0.1M Bis-Tris Propane, 20% PEG 3350 |
