7H9R
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14452
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 | 66.320, 89.450, 100.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.640 - 1.690 |
| R-factor | 0.173 |
| Rwork | 0.172 |
| R-free | 0.18160 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| 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] | 29.780 | 29.780 | 1.730 |
| High resolution limit [Å] | 1.690 | 7.560 | 1.690 |
| Rmerge | 0.082 | 0.037 | 1.416 |
| Rmeas | 0.085 | 0.039 | 1.484 |
| Rpim | 0.024 | 0.012 | 0.441 |
| Total number of observations | 419248 | 4052 | 27138 |
| Number of reflections | 33644 | 414 | 2442 |
| <I/σ(I)> | 16 | 35.7 | 1.6 |
| Completeness [%] | 100.0 | 97.6 | 100 |
| Redundancy | 12.5 | 9.8 | 11.1 |
| CC(1/2) | 0.999 | 0.999 | 0.693 |
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 |
