7HB5
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13078
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 | 2023-07-22 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.760, 89.160, 100.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.880 - 1.800 |
| R-factor | 0.1638 |
| Rwork | 0.162 |
| R-free | 0.19330 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.151 |
| 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] | 34.630 | 34.630 | 1.850 |
| High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
| Rmerge | 0.092 | 0.038 | 0.359 |
| Rmeas | 0.096 | 0.040 | 0.409 |
| Rpim | 0.029 | 0.013 | 0.191 |
| Total number of observations | 279634 | 3397 | 7400 |
| Number of reflections | 27409 | 355 | 1816 |
| <I/σ(I)> | 22.6 | 43.4 | 3.9 |
| Completeness [%] | 98.9 | 98.1 | 90.4 |
| Redundancy | 10.2 | 9.6 | 4.1 |
| CC(1/2) | 0.999 | 0.999 | 0.918 |
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 |
