7HBL
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12214
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 | 2024-01-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.880, 89.240, 99.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.180 - 1.650 |
| R-factor | 0.1751 |
| Rwork | 0.174 |
| R-free | 0.19560 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.848 |
| 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] | 31.180 | 31.180 | 1.690 |
| High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
| Rmerge | 0.078 | 0.029 | 1.538 |
| Rmeas | 0.081 | 0.031 | 1.615 |
| Rpim | 0.023 | 0.010 | 0.490 |
| Total number of observations | 449752 | 4442 | 28243 |
| Number of reflections | 35752 | 451 | 2624 |
| <I/σ(I)> | 17.7 | 46.4 | 1.6 |
| Completeness [%] | 100.0 | 98.5 | 100 |
| Redundancy | 12.6 | 9.8 | 10.8 |
| CC(1/2) | 0.999 | 0.999 | 0.624 |
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 |
