7HA3
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14259
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 | 2023-07-05 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.413, 91.057, 99.491 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.810 - 1.980 |
| R-factor | 0.1826 |
| Rwork | 0.182 |
| R-free | 0.20070 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.177 |
| 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] | 67.170 | 67.170 | 2.090 |
| High resolution limit [Å] | 1.980 | 6.260 | 1.980 |
| Rmerge | 0.181 | 0.087 | 1.266 |
| Rmeas | 0.191 | 0.093 | 1.327 |
| Rpim | 0.058 | 0.030 | 0.393 |
| Total number of observations | 214445 | 7712 | 27479 |
| Number of reflections | 20089 | 760 | 2507 |
| <I/σ(I)> | 9.9 | 22.5 | 2.5 |
| Completeness [%] | 92.6 | 99.8 | 80.8 |
| Redundancy | 10.7 | 10.1 | 11 |
| CC(1/2) | 0.994 | 0.993 | 0.779 |
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 |
