7HBM
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13278
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 | 2024-01-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 69.826, 88.732, 97.212 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.540 - 2.210 |
| R-factor | 0.2038 |
| Rwork | 0.202 |
| R-free | 0.23850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.616 |
| 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] | 65.540 | 65.540 | 2.270 |
| High resolution limit [Å] | 2.210 | 9.880 | 2.210 |
| Rmerge | 0.168 | 0.046 | 2.151 |
| Rmeas | 0.175 | 0.050 | 2.239 |
| Rpim | 0.049 | 0.017 | 0.616 |
| Total number of observations | 196982 | 1855 | 14565 |
| Number of reflections | 15370 | 210 | 1114 |
| <I/σ(I)> | 10.3 | 21.6 | 1.5 |
| Completeness [%] | 99.5 | 99.8 | 99 |
| Redundancy | 12.8 | 8.8 | 13.1 |
| CC(1/2) | 0.995 | 0.990 | 0.615 |
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 |
