9M63
Crystal structure of 9-mer peptide from H5N1 avian influenza virus in complex with B4 DUCK MHC I (UAA*76)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 62 |
| Unit cell lengths | 82.457, 82.457, 111.883 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.038 - 2.352 |
| Rwork | 0.187 |
| R-free | 0.25560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.440 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.250 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 1.723 | |
| Number of reflections | 18023 | 756 |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 98.4 | |
| Redundancy | 14.5 | |
| CC(1/2) | 0.009 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | pH 7.5 0.09M NPS 0.1 M Buffer system 2 37.5% v/v MPD_P1K_P3350 |
