7HA4
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14240
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 | 2023-07-05 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.074, 89.491, 100.286 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.750 - 1.610 |
| R-factor | 0.1964 |
| Rwork | 0.195 |
| R-free | 0.21740 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.761 |
| 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] | 44.750 | 44.750 | 1.700 |
| High resolution limit [Å] | 1.610 | 5.090 | 1.610 |
| Rmerge | 0.186 | 0.034 | 0.717 |
| Rmeas | 0.202 | 0.037 | 0.793 |
| Rpim | 0.079 | 0.014 | 0.335 |
| Total number of observations | 262163 | 8742 | 30667 |
| Number of reflections | 38626 | 1333 | 5613 |
| <I/σ(I)> | 17.4 | 44.8 | 2.6 |
| Completeness [%] | 99.1 | 99.3 | 99.6 |
| Redundancy | 6.8 | 6.6 | 5.5 |
| CC(1/2) | 0.978 | 0.999 | 0.781 |
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 |
