7H9O
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13146
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 | 67.260, 90.920, 98.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.610 - 1.550 |
| R-factor | 0.1688 |
| Rwork | 0.168 |
| R-free | 0.17830 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.052 |
| 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] | 31.000 | 31.000 | 1.590 |
| High resolution limit [Å] | 1.550 | 6.930 | 1.550 |
| Rmerge | 0.053 | 0.033 | 1.097 |
| Rmeas | 0.055 | 0.034 | 1.160 |
| Rpim | 0.016 | 0.011 | 0.370 |
| Total number of observations | 531309 | 5539 | 30566 |
| Number of reflections | 44126 | 546 | 3223 |
| <I/σ(I)> | 21 | 47.8 | 1.9 |
| Completeness [%] | 99.6 | 97.6 | 99 |
| Redundancy | 12 | 10.1 | 9.5 |
| CC(1/2) | 1.000 | 0.999 | 0.698 |
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 |
