7HBJ
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13498
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 | 2023-07-23 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 69.838, 88.675, 96.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.870 - 2.650 |
| R-factor | 0.2199 |
| Rwork | 0.217 |
| R-free | 0.26520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.594 |
| 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] | 54.870 | 54.870 | 2.790 |
| High resolution limit [Å] | 2.650 | 8.360 | 2.650 |
| Rmerge | 0.197 | 0.056 | 0.575 |
| Rmeas | 0.244 | 0.069 | 0.704 |
| Rpim | 0.140 | 0.038 | 0.398 |
| Total number of observations | 19856 | 634 | 2804 |
| Number of reflections | 7081 | 228 | 1018 |
| <I/σ(I)> | 4.9 | 9.6 | 2.4 |
| Completeness [%] | 79.2 | 72.4 | 79.5 |
| Redundancy | 2.8 | 2.8 | 2.8 |
| CC(1/2) | 0.922 | 0.992 | 0.545 |
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 |
