7HAA
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13279
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 | 2024-01-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97919 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.900, 90.940, 98.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.710 - 1.670 |
| R-factor | 0.1711 |
| Rwork | 0.171 |
| R-free | 0.18050 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.930 |
| 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] | 30.830 | 30.830 | 1.710 |
| High resolution limit [Å] | 1.670 | 7.470 | 1.670 |
| Rmerge | 0.075 | 0.028 | 1.860 |
| Rmeas | 0.078 | 0.030 | 1.951 |
| Rpim | 0.022 | 0.009 | 0.585 |
| Total number of observations | 443121 | 4029 | 28020 |
| Number of reflections | 35134 | 431 | 2565 |
| <I/σ(I)> | 18.2 | 50.9 | 1.4 |
| Completeness [%] | 100.0 | 97.9 | 100 |
| Redundancy | 12.6 | 9.3 | 10.9 |
| CC(1/2) | 1.000 | 0.999 | 0.472 |
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 |
