6D29
HLA-B*57:01 presenting TSMSFVPRPW
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.742, 81.917, 109.356 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.959 - 1.880 |
| R-factor | 0.1904 |
| Rwork | 0.189 |
| R-free | 0.22150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5t6y |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.861 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1690) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.076 | 0.620 |
| Number of reflections | 37733 | 5374 |
| <I/σ(I)> | 17.5 | 3.5 |
| Completeness [%] | 99.0 | 98 |
| Redundancy | 5.6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 294 | 18 % PEG 4000, 0.2 M ammonium acetate and 0.1 M tri-sodium citrate pH 5.4. |
