7HAF
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13854
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 | 2023-07-04 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.191, 91.336, 99.266 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.580 - 1.610 |
| R-factor | 0.2013 |
| Rwork | 0.200 |
| R-free | 0.21860 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.856 |
| 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] | 55.640 | 55.640 | 1.700 |
| High resolution limit [Å] | 1.610 | 5.090 | 1.610 |
| Rmerge | 0.067 | 0.031 | 0.697 |
| Rmeas | 0.072 | 0.033 | 0.753 |
| Rpim | 0.025 | 0.011 | 0.277 |
| Total number of observations | 342352 | 11826 | 40466 |
| Number of reflections | 39455 | 1333 | 5722 |
| <I/σ(I)> | 20.4 | 56.8 | 2.6 |
| Completeness [%] | 99.0 | 97.8 | 99.8 |
| Redundancy | 8.7 | 8.9 | 7.1 |
| CC(1/2) | 0.998 | 0.998 | 0.791 |
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 |
