7HBS
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 10X-0806
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 | 2023-09-04 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.120, 89.560, 100.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.320 - 1.380 |
| R-factor | 0.1687 |
| Rwork | 0.168 |
| R-free | 0.17920 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.894 |
| 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] | 34.780 | 34.780 | 1.420 |
| High resolution limit [Å] | 1.380 | 6.170 | 1.380 |
| Rmerge | 0.046 | 0.036 | 0.671 |
| Rmeas | 0.048 | 0.038 | 0.762 |
| Rpim | 0.014 | 0.011 | 0.349 |
| Total number of observations | 659026 | 8641 | 17121 |
| Number of reflections | 60388 | 755 | 3941 |
| <I/σ(I)> | 25.1 | 56.2 | 1.8 |
| Completeness [%] | 98.4 | 98.5 | 87.9 |
| Redundancy | 10.9 | 11.4 | 4.3 |
| CC(1/2) | 0.999 | 0.998 | 0.716 |
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 |
