9EJD
Crystal structure of HLA-B*07:02 with the 9-mer TP53 mutant peptide SPILTIITL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 19-ID |
| Synchrotron site | NSLS-II |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-08-05 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 175.432, 64.547, 83.975 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.200 - 2.150 |
| R-factor | 0.2343 |
| Rwork | 0.233 |
| R-free | 0.26710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.478 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.500 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.114 | 1.007 |
| Rmeas | 0.127 | |
| Rpim | 0.055 | 0.502 |
| Number of reflections | 50271 | 2435 |
| <I/σ(I)> | 16 | 1.22 |
| Completeness [%] | 96.1 | 96.2 |
| Redundancy | 5.1 | 4.5 |
| CC(1/2) | 0.993 | 0.558 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2 M Ammonium Sulfate, 0.1 M Tris:HCl, 25% (w/v) PEG 3350 |
