6SS9
Human Leukocyte Antigen Class I A02 Carrying LLWNGPMHV
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 | C 1 2 1 |
| Unit cell lengths | 199.751, 48.261, 117.754 |
| Unit cell angles | 90.00, 123.47, 90.00 |
Refinement procedure
| Resolution | 29.430 - 2.700 |
| R-factor | 0.2362 |
| Rwork | 0.233 |
| R-free | 0.30100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n6b |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.691 |
| 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] | 29.430 | 29.410 | 2.590 |
| High resolution limit [Å] | 2.520 | 11.290 | 2.520 |
| Rmerge | 0.077 | 0.057 | 0.686 |
| Rmeas | 0.091 | 0.068 | 0.798 |
| Rpim | 0.047 | 0.036 | 0.403 |
| Total number of observations | 1059 | 7831 | |
| Number of reflections | 31568 | 359 | 2105 |
| <I/σ(I)> | 9.6 | 19.8 | 1.6 |
| Completeness [%] | 98.6 | 88.6 | 89.6 |
| Redundancy | 3.6 | 2.9 | 3.7 |
| CC(1/2) | 0.996 | 0.989 | 0.784 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Sodium Cacodylate pH 6.5, 0.2 M Ammonium Sulphate, 20 % PEG 4000 |
