7N9J
Crystal structure of H2DB in complex with HSF2 melanoma neoantigen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-12-09 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.416, 56.959, 72.765 |
| Unit cell angles | 90.00, 94.84, 90.00 |
Refinement procedure
| Resolution | 44.100 - 1.740 |
| R-factor | 0.1668 |
| Rwork | 0.165 |
| R-free | 0.21330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5opi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.553 |
| Data reduction software | HKL-3000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.100 | 1.770 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.049 | 0.356 |
| Number of reflections | 43454 | 2208 |
| <I/σ(I)> | 14.5 | 2.8 |
| Completeness [%] | 100.0 | 92.7 |
| Redundancy | 3.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | 25% PEG3350, 0.1 M Tris-HCl, pH 8.5, 0.2 M sodium acetate, 30% PEG4000 |
