7HBF
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12938
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 | 2023-07-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.969, 89.680, 99.955 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.980 - 1.970 |
| R-factor | 0.1873 |
| Rwork | 0.186 |
| R-free | 0.21880 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.648 |
| 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] | 55.060 | 55.060 | 2.080 |
| High resolution limit [Å] | 1.970 | 6.240 | 1.970 |
| Rmerge | 0.081 | 0.042 | 0.455 |
| Rmeas | 0.085 | 0.044 | 0.485 |
| Rpim | 0.026 | 0.014 | 0.166 |
| Total number of observations | 233809 | 7760 | 25416 |
| Number of reflections | 21240 | 741 | 3074 |
| <I/σ(I)> | 18.2 | 36.1 | 4 |
| Completeness [%] | 99.9 | 99.3 | 99.9 |
| Redundancy | 11 | 10.5 | 8.3 |
| CC(1/2) | 0.997 | 0.999 | 0.926 |
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 |
