7HBZ
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 6R-0009
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 | 66.850, 91.010, 99.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.630 - 1.440 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.18670 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.417 |
| 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] | 27.630 | 27.630 | 1.480 |
| High resolution limit [Å] | 1.440 | 6.440 | 1.440 |
| Rmerge | 0.049 | 0.036 | 1.006 |
| Rmeas | 0.051 | 0.038 | 1.095 |
| Rpim | 0.015 | 0.012 | 0.412 |
| Total number of observations | 609924 | 6873 | 22872 |
| Number of reflections | 54341 | 683 | 3610 |
| <I/σ(I)> | 24 | 57.5 | 1.9 |
| Completeness [%] | 99.1 | 97.9 | 91.1 |
| Redundancy | 11.2 | 10.1 | 6.3 |
| CC(1/2) | 1.000 | 0.999 | 0.562 |
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 |
