7HBY
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 9R-0342
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-04 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.360, 89.500, 100.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.480 - 1.820 |
| R-factor | 0.1786 |
| Rwork | 0.177 |
| R-free | 0.20810 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.101 |
| 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] | 34.820 | 34.820 | 1.870 |
| High resolution limit [Å] | 1.820 | 8.140 | 1.820 |
| Rmerge | 0.061 | 0.029 | 0.507 |
| Rmeas | 0.063 | 0.031 | 0.581 |
| Rpim | 0.019 | 0.009 | 0.271 |
| Total number of observations | 284013 | 3988 | 7750 |
| Number of reflections | 26829 | 352 | 1805 |
| <I/σ(I)> | 22.6 | 57 | 2.1 |
| Completeness [%] | 98.2 | 98.6 | 90.7 |
| Redundancy | 10.6 | 11.3 | 4.3 |
| CC(1/2) | 0.999 | 0.999 | 0.789 |
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 |
