7H9K
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12478
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 | 65.860, 90.040, 100.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.930 - 1.660 |
| R-factor | 0.1767 |
| Rwork | 0.175 |
| R-free | 0.20380 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.381 |
| 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] | 66.980 | 66.980 | 1.700 |
| High resolution limit [Å] | 1.660 | 7.420 | 1.660 |
| Rmerge | 0.149 | 0.042 | 1.833 |
| Rmeas | 0.156 | 0.044 | 1.928 |
| Rpim | 0.045 | 0.014 | 0.592 |
| Total number of observations | 431180 | 4361 | 27615 |
| Number of reflections | 35402 | 445 | 2601 |
| <I/σ(I)> | 17 | 42.2 | 1.8 |
| Completeness [%] | 99.6 | 98.5 | 100 |
| Redundancy | 12.2 | 9.8 | 10.6 |
| CC(1/2) | 0.998 | 0.997 | 0.466 |
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 |
