7HB8
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13480
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 | 2024-01-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 68.190, 90.180, 98.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.280 - 1.850 |
| R-factor | 0.1715 |
| Rwork | 0.171 |
| R-free | 0.18800 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.232 |
| 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] | 45.090 | 45.090 | 1.900 |
| High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
| Rmerge | 0.097 | 0.031 | 1.420 |
| Rmeas | 0.101 | 0.033 | 1.476 |
| Rpim | 0.028 | 0.010 | 0.401 |
| Total number of observations | 340703 | 3010 | 25676 |
| Number of reflections | 26332 | 330 | 1925 |
| <I/σ(I)> | 17.5 | 45.7 | 2.3 |
| Completeness [%] | 100.0 | 97.7 | 100 |
| Redundancy | 12.9 | 9.1 | 13.3 |
| CC(1/2) | 0.999 | 0.999 | 0.817 |
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 |
