7HBE
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12771
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.200, 89.710, 100.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.820 - 1.790 |
| R-factor | 0.1602 |
| Rwork | 0.159 |
| R-free | 0.18590 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.924 |
| 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] | 34.820 | 34.820 | 1.840 |
| High resolution limit [Å] | 1.790 | 8.010 | 1.790 |
| Rmerge | 0.081 | 0.043 | 0.379 |
| Rmeas | 0.085 | 0.046 | 0.442 |
| Rpim | 0.026 | 0.014 | 0.219 |
| Total number of observations | 268403 | 3535 | 6562 |
| Number of reflections | 28086 | 360 | 1836 |
| <I/σ(I)> | 18.4 | 38 | 2.4 |
| Completeness [%] | 98.7 | 98.4 | 89.5 |
| Redundancy | 9.6 | 9.8 | 3.6 |
| CC(1/2) | 0.998 | 0.998 | 0.837 |
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 |
