7HAI
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-5525
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 | 66.136, 89.577, 100.354 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.790 - 1.650 |
| R-factor | 0.1703 |
| Rwork | 0.169 |
| R-free | 0.19440 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.271 |
| 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] | 55.220 | 55.220 | 1.730 |
| High resolution limit [Å] | 1.650 | 5.200 | 1.650 |
| Rmerge | 0.079 | 0.035 | 0.778 |
| Rmeas | 0.084 | 0.037 | 0.832 |
| Rpim | 0.027 | 0.012 | 0.287 |
| Total number of observations | 355820 | 11754 | 42660 |
| Number of reflections | 36235 | 1202 | 5250 |
| <I/σ(I)> | 17.5 | 45.4 | 2.5 |
| Completeness [%] | 99.5 | 96.4 | 99.6 |
| Redundancy | 9.8 | 9.8 | 8.1 |
| CC(1/2) | 0.999 | 0.999 | 0.792 |
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 |
