7HAS
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12355
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 | 2024-01-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.330, 91.060, 98.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.510 - 2.080 |
| R-factor | 0.1809 |
| Rwork | 0.179 |
| R-free | 0.21200 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.534 |
| 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] | 66.740 | 66.740 | 2.130 |
| High resolution limit [Å] | 2.080 | 9.300 | 2.080 |
| Rmerge | 0.153 | 0.072 | 1.513 |
| Rmeas | 0.160 | 0.076 | 1.575 |
| Rpim | 0.045 | 0.025 | 0.433 |
| Total number of observations | 232444 | 1966 | 17706 |
| Number of reflections | 18476 | 235 | 1356 |
| <I/σ(I)> | 10.9 | 23.9 | 2 |
| Completeness [%] | 100.0 | 97.9 | 100 |
| Redundancy | 12.6 | 8.4 | 13.1 |
| CC(1/2) | 0.997 | 0.993 | 0.687 |
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 |
