6SSA
Human Leukocyte Antigen Class I A02 Carrying LLWNGPMQV
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 1 2 1 |
| Unit cell lengths | 117.908, 49.071, 169.011 |
| Unit cell angles | 90.00, 92.48, 90.00 |
Refinement procedure
| Resolution | 70.070 - 2.110 |
| R-factor | 0.2253 |
| Rwork | 0.223 |
| R-free | 0.27130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n6b |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.655 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 117.770 | 117.770 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.150 | 0.078 | 1.448 |
| Rmeas | 0.174 | 0.094 | 1.685 |
| Rpim | 0.088 | 0.051 | 0.849 |
| Total number of observations | 476741 | 5273 | 34202 |
| Number of reflections | 131906 | 1628 | 9683 |
| <I/σ(I)> | 5 | 8.6 | 1.7 |
| Completeness [%] | 99.9 | 99.9 | 100 |
| Redundancy | 3.6 | 3.2 | 3.5 |
| CC(1/2) | 0.983 | 0.923 | 0.393 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1 M Sodium Cacodylate pH 6.5, 0.2 M Ammonium Sulphate, 20 % PEG 4000 |
