7HAM
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14242
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97919 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.120, 91.550, 98.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.590 - 1.770 |
| R-factor | 0.1858 |
| Rwork | 0.185 |
| R-free | 0.20620 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.581 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | DIMPLE |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.020 | 30.020 | 1.820 |
| High resolution limit [Å] | 1.770 | 7.920 | 1.770 |
| Rmerge | 0.127 | 0.037 | 1.900 |
| Rmeas | 0.132 | 0.039 | 1.975 |
| Rpim | 0.036 | 0.012 | 0.536 |
| Total number of observations | 390142 | 3481 | 28416 |
| Number of reflections | 29719 | 375 | 2144 |
| <I/σ(I)> | 15.2 | 42.9 | 1.5 |
| Completeness [%] | 99.0 | 96.6 | 98.3 |
| Redundancy | 13.1 | 9.3 | 13.3 |
| CC(1/2) | 0.999 | 0.999 | 0.544 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 100mM Tris-HCl pH 8.5, 22% PEG4000, 200mM MgCl2 |
