7H9V
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12319
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 | 66.970, 91.040, 99.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.750 - 1.520 |
| R-factor | 0.1716 |
| Rwork | 0.171 |
| R-free | 0.18680 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.848 |
| 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] | 29.960 | 29.960 | 1.560 |
| High resolution limit [Å] | 1.520 | 6.800 | 1.520 |
| Rmerge | 0.070 | 0.038 | 1.335 |
| Rmeas | 0.073 | 0.040 | 1.424 |
| Rpim | 0.021 | 0.013 | 0.491 |
| Total number of observations | 552688 | 5713 | 28504 |
| Number of reflections | 46976 | 586 | 3457 |
| <I/σ(I)> | 19.7 | 48.3 | 1.6 |
| Completeness [%] | 100.0 | 98.8 | 100 |
| Redundancy | 11.8 | 9.7 | 8.2 |
| CC(1/2) | 0.999 | 0.998 | 0.580 |
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 |
