7HA7
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-5947
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 | 66.127, 89.186, 100.274 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.320 - 2.270 |
| R-factor | 0.1959 |
| Rwork | 0.194 |
| R-free | 0.23430 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.775 |
| 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] | 50.140 | 50.140 | 2.390 |
| High resolution limit [Å] | 2.270 | 7.170 | 2.270 |
| Rmerge | 0.217 | 0.084 | 0.861 |
| Rmeas | 0.234 | 0.092 | 0.922 |
| Rpim | 0.085 | 0.036 | 0.322 |
| Total number of observations | 99376 | 3377 | 15633 |
| Number of reflections | 13258 | 501 | 1991 |
| <I/σ(I)> | 7.4 | 14.9 | 2.8 |
| Completeness [%] | 94.1 | 99 | 98.9 |
| Redundancy | 7.5 | 6.7 | 7.9 |
| CC(1/2) | 0.950 | 0.856 | 0.789 |
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 |
