7HA9
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13551
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 | 69.780, 88.410, 96.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.390 - 2.000 |
| R-factor | 0.2016 |
| Rwork | 0.200 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.468 |
| 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] | 30.270 | 30.270 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.080 | 0.039 | 1.561 |
| Rmeas | 0.084 | 0.042 | 1.623 |
| Rpim | 0.023 | 0.014 | 0.440 |
| Total number of observations | 265330 | 2249 | 20116 |
| Number of reflections | 20546 | 252 | 1520 |
| <I/σ(I)> | 19.4 | 44.3 | 1.9 |
| Completeness [%] | 99.9 | 94.2 | 99.8 |
| Redundancy | 12.9 | 8.9 | 13.2 |
| CC(1/2) | 0.999 | 0.998 | 0.642 |
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 |
