7HA8
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14439
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 | 2024-01-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97919 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 70.140, 89.300, 97.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.480 - 2.220 |
| R-factor | 0.2022 |
| Rwork | 0.200 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.553 |
| 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] | 30.530 | 30.530 | 2.280 |
| High resolution limit [Å] | 2.220 | 9.930 | 2.220 |
| Rmerge | 0.143 | 0.051 | 1.173 |
| Rmeas | 0.149 | 0.054 | 1.223 |
| Rpim | 0.042 | 0.018 | 0.341 |
| Total number of observations | 193504 | 1589 | 14264 |
| Number of reflections | 15465 | 194 | 1128 |
| <I/σ(I)> | 12 | 29.4 | 2.5 |
| Completeness [%] | 99.9 | 94.6 | 99.9 |
| Redundancy | 12.5 | 8.2 | 12.6 |
| CC(1/2) | 0.998 | 0.996 | 0.668 |
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 |
