7HC0
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 4W-0801
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 | 67.030, 90.350, 98.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.470 - 1.660 |
| R-factor | 0.1736 |
| Rwork | 0.172 |
| R-free | 0.19710 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.440 |
| 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] | 29.930 | 29.930 | 1.700 |
| High resolution limit [Å] | 1.660 | 7.420 | 1.660 |
| Rmerge | 0.083 | 0.050 | 1.803 |
| Rmeas | 0.086 | 0.053 | 1.892 |
| Rpim | 0.024 | 0.016 | 0.567 |
| Total number of observations | 452281 | 4253 | 28435 |
| Number of reflections | 35645 | 440 | 2617 |
| <I/σ(I)> | 16.4 | 38 | 1.5 |
| Completeness [%] | 100.0 | 97.6 | 100 |
| Redundancy | 12.7 | 9.7 | 10.9 |
| CC(1/2) | 0.999 | 0.998 | 0.505 |
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 |
