7HA6
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with DH-0718
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 | 67.340, 91.210, 98.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.820 - 1.800 |
| R-factor | 0.1869 |
| Rwork | 0.185 |
| R-free | 0.21830 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.918 |
| 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] | 30.090 | 30.090 | 1.850 |
| High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
| Rmerge | 0.081 | 0.035 | 1.437 |
| Rmeas | 0.084 | 0.037 | 1.494 |
| Rpim | 0.024 | 0.012 | 0.407 |
| Total number of observations | 368084 | 3328 | 27762 |
| Number of reflections | 28506 | 361 | 2080 |
| <I/σ(I)> | 17.7 | 42 | 2 |
| Completeness [%] | 99.8 | 97.7 | 100 |
| Redundancy | 12.9 | 9.2 | 13.3 |
| CC(1/2) | 0.999 | 0.998 | 0.698 |
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 |
