7HB6
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13755
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 | 2023-07-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.430, 90.840, 99.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.500 - 2.090 |
| R-factor | 0.2276 |
| Rwork | 0.227 |
| R-free | 0.25000 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.480 |
| 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] | 33.500 | 33.500 | 2.140 |
| High resolution limit [Å] | 2.090 | 9.350 | 2.090 |
| Rmerge | 0.159 | 0.042 | 2.745 |
| Rmeas | 0.167 | 0.044 | 2.987 |
| Rpim | 0.051 | 0.014 | 1.146 |
| Total number of observations | 195432 | 2094 | 8754 |
| Number of reflections | 17832 | 228 | 1321 |
| <I/σ(I)> | 13.8 | 37 | 0.7 |
| Completeness [%] | 98.3 | 96.8 | 99.6 |
| Redundancy | 11 | 9.2 | 6.6 |
| CC(1/2) | 0.994 | 0.998 | 0.305 |
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 |
