6SS8
Human Leukocyte Antigen Class I A02 Carrying LLWNGPIAV
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 | 2017-07-14 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 118.109, 168.621, 48.926 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.540 - 2.240 |
| R-factor | 0.2305 |
| Rwork | 0.228 |
| R-free | 0.27720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.660 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.540 | 29.530 | 2.290 |
| High resolution limit [Å] | 2.240 | 10.000 | 2.240 |
| Rmerge | 0.218 | 0.085 | 1.066 |
| Rmeas | 0.237 | 0.094 | 1.166 |
| Rpim | 0.092 | 0.039 | 0.462 |
| Total number of observations | 3529 | 15526 | |
| Number of reflections | 47512 | 607 | 2730 |
| <I/σ(I)> | 8.3 | 20.6 | 1.4 |
| Completeness [%] | 98.3 | 95.8 | 78.6 |
| Redundancy | 6.9 | 5.8 | 5.7 |
| CC(1/2) | 0.988 | 0.994 | 0.382 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Mes pH 7.0, 0.2 M Amonium Sulphate, 25 % PEG 8000 |
