7H9T
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12599
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 | 68.230, 91.070, 98.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.120 - 2.480 |
| R-factor | 0.255 |
| Rwork | 0.254 |
| R-free | 0.27720 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.426 |
| 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] | 35.370 | 35.370 | 2.540 |
| High resolution limit [Å] | 2.480 | 11.090 | 2.480 |
| Rmerge | 0.259 | 0.060 | 2.208 |
| Rmeas | 0.270 | 0.064 | 2.294 |
| Rpim | 0.075 | 0.021 | 0.619 |
| Total number of observations | 144296 | 1123 | 11041 |
| Number of reflections | 11207 | 147 | 818 |
| <I/σ(I)> | 9.4 | 26 | 1.5 |
| Completeness [%] | 99.6 | 96.6 | 100 |
| Redundancy | 12.9 | 7.6 | 13.5 |
| CC(1/2) | 0.996 | 0.996 | 0.628 |
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 |
