7HAH
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-5160
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 | 2023-07-04 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.037, 91.099, 99.357 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.990 - 1.600 |
| R-factor | 0.1653 |
| Rwork | 0.165 |
| R-free | 0.17980 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.885 |
| 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] | 36.560 | 36.560 | 1.690 |
| High resolution limit [Å] | 1.600 | 5.070 | 1.600 |
| Rmerge | 0.057 | 0.028 | 0.775 |
| Rmeas | 0.059 | 0.029 | 0.817 |
| Rpim | 0.017 | 0.008 | 0.256 |
| Total number of observations | 501649 | 16162 | 57276 |
| Number of reflections | 40144 | 1377 | 5765 |
| <I/σ(I)> | 23.6 | 64.9 | 2.6 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 12.5 | 11.7 | 9.9 |
| CC(1/2) | 1.000 | 1.000 | 0.843 |
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 |
