7H9N
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13347
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 | 70.030, 89.300, 97.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.670 - 2.350 |
| R-factor | 0.2084 |
| Rwork | 0.206 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.763 |
| 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] | 30.670 | 30.670 | 2.410 |
| High resolution limit [Å] | 2.350 | 10.510 | 2.350 |
| Rmerge | 0.156 | 0.047 | 1.693 |
| Rmeas | 0.162 | 0.051 | 1.763 |
| Rpim | 0.046 | 0.018 | 0.489 |
| Total number of observations | 167417 | 1239 | 12326 |
| Number of reflections | 13129 | 166 | 958 |
| <I/σ(I)> | 12.7 | 31.8 | 1.7 |
| Completeness [%] | 99.9 | 94.2 | 100 |
| Redundancy | 12.8 | 7.5 | 12.9 |
| CC(1/2) | 0.998 | 0.997 | 0.617 |
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 |
