7HB9
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13464
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 | 2023-07-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.840, 89.630, 100.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.760 - 1.890 |
| R-factor | 0.1615 |
| Rwork | 0.160 |
| R-free | 0.18270 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.748 |
| 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] | 34.760 | 34.760 | 1.940 |
| High resolution limit [Å] | 1.890 | 8.450 | 1.890 |
| Rmerge | 0.071 | 0.048 | 0.464 |
| Rmeas | 0.074 | 0.051 | 0.513 |
| Rpim | 0.022 | 0.016 | 0.211 |
| Total number of observations | 252619 | 2936 | 8644 |
| Number of reflections | 23883 | 298 | 1533 |
| <I/σ(I)> | 24.1 | 42.2 | 5 |
| Completeness [%] | 98.9 | 96.6 | 87.9 |
| Redundancy | 10.6 | 9.9 | 5.6 |
| CC(1/2) | 0.999 | 0.996 | 0.902 |
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 |
