7HBH
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13518
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-23 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.418, 90.655, 98.849 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.490 - 1.800 |
| R-factor | 0.1881 |
| Rwork | 0.187 |
| R-free | 0.20800 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.835 |
| 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] | 55.700 | 55.700 | 1.900 |
| High resolution limit [Å] | 1.800 | 5.700 | 1.800 |
| Rmerge | 0.057 | 0.033 | 0.379 |
| Rmeas | 0.062 | 0.036 | 0.430 |
| Rpim | 0.022 | 0.013 | 0.193 |
| Total number of observations | 157949 | 6594 | 9866 |
| Number of reflections | 23106 | 907 | 2620 |
| <I/σ(I)> | 20.2 | 41.8 | 2.8 |
| Completeness [%] | 81.8 | 93.7 | 64.4 |
| Redundancy | 6.8 | 7.3 | 3.8 |
| CC(1/2) | 0.998 | 0.998 | 0.866 |
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 |
