7HB7
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12696
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 | 2024-01-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 70.280, 88.230, 96.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.290 - 2.980 |
| R-factor | 0.2296 |
| Rwork | 0.227 |
| R-free | 0.27950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.390 |
| 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] | 30.290 | 30.290 | 3.060 |
| High resolution limit [Å] | 2.980 | 13.330 | 2.980 |
| Rmerge | 0.197 | 0.096 | 1.195 |
| Rmeas | 0.206 | 0.103 | 1.244 |
| Rpim | 0.059 | 0.036 | 0.343 |
| Total number of observations | 78659 | 534 | 5854 |
| Number of reflections | 6399 | 82 | 452 |
| <I/σ(I)> | 10.1 | 15.1 | 2.5 |
| Completeness [%] | 99.9 | 90.3 | 100 |
| Redundancy | 12.3 | 6.5 | 13 |
| CC(1/2) | 0.995 | 0.989 | 0.787 |
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 |
