7HAQ
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13428
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 | 2023-07-04 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.110, 89.590, 100.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.480 - 1.550 |
| R-factor | 0.1722 |
| Rwork | 0.171 |
| R-free | 0.19680 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.352 |
| 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] | 36.480 | 36.480 | 1.590 |
| High resolution limit [Å] | 1.550 | 6.930 | 1.550 |
| Rmerge | 0.055 | 0.025 | 0.961 |
| Rmeas | 0.057 | 0.026 | 1.032 |
| Rpim | 0.016 | 0.008 | 0.356 |
| Total number of observations | 519536 | 6280 | 22475 |
| Number of reflections | 42917 | 543 | 2942 |
| <I/σ(I)> | 23.7 | 69.4 | 2 |
| Completeness [%] | 98.7 | 98.6 | 92.8 |
| Redundancy | 12.1 | 11.6 | 7.6 |
| CC(1/2) | 1.000 | 0.999 | 0.696 |
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 |
