7HAJ
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-4122
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 | 65.998, 89.786, 99.892 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.730 - 1.570 |
| R-factor | 0.1632 |
| Rwork | 0.162 |
| R-free | 0.18930 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.490 |
| 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] | 33.390 | 33.390 | 1.660 |
| High resolution limit [Å] | 1.570 | 4.980 | 1.570 |
| Rmerge | 0.068 | 0.032 | 0.593 |
| Rmeas | 0.073 | 0.034 | 0.646 |
| Rpim | 0.025 | 0.011 | 0.246 |
| Total number of observations | 296077 | 9907 | 32077 |
| Number of reflections | 37638 | 1171 | 5484 |
| <I/σ(I)> | 17.2 | 46.2 | 2.5 |
| Completeness [%] | 91.6 | 84.6 | 91.6 |
| Redundancy | 7.9 | 8.5 | 5.8 |
| CC(1/2) | 0.998 | 0.999 | 0.819 |
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 |
