7HAU
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13098
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 | 2023-07-22 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.086, 89.696, 100.204 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.040 - 1.750 |
| R-factor | 0.1842 |
| Rwork | 0.183 |
| R-free | 0.21210 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.725 |
| 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] | 66.830 | 66.830 | 1.840 |
| High resolution limit [Å] | 1.750 | 5.530 | 1.750 |
| Rmerge | 0.058 | 0.037 | 0.253 |
| Rmeas | 0.063 | 0.040 | 0.313 |
| Rpim | 0.024 | 0.015 | 0.181 |
| Total number of observations | 171190 | 7248 | 7723 |
| Number of reflections | 28753 | 1061 | 3305 |
| <I/σ(I)> | 18.5 | 37.9 | 2.6 |
| Completeness [%] | 94.4 | 99.6 | 76.1 |
| Redundancy | 6 | 6.8 | 2.3 |
| CC(1/2) | 0.998 | 0.999 | 0.905 |
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 |
