7HBC
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13229
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 | 65.778, 89.297, 99.659 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.510 - 1.860 |
| R-factor | 0.1746 |
| Rwork | 0.173 |
| R-free | 0.20130 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.575 |
| 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] | 66.510 | 66.510 | 1.960 |
| High resolution limit [Å] | 1.860 | 5.890 | 1.860 |
| Rmerge | 0.061 | 0.036 | 0.284 |
| Rmeas | 0.065 | 0.038 | 0.329 |
| Rpim | 0.022 | 0.013 | 0.157 |
| Total number of observations | 162951 | 7488 | 2427 |
| Number of reflections | 18770 | 870 | 748 |
| <I/σ(I)> | 22.2 | 39.3 | 2.7 |
| Completeness [%] | 75.0 | 99.7 | 20.9 |
| Redundancy | 8.7 | 8.6 | 3.2 |
| CC(1/2) | 0.998 | 0.996 | 0.920 |
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 |
