7HAE
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13215
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 | 67.363, 91.106, 99.086 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.100 - 1.730 |
| R-factor | 0.2012 |
| Rwork | 0.200 |
| R-free | 0.22790 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.793 |
| 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] | 33.680 | 33.680 | 1.820 |
| High resolution limit [Å] | 1.730 | 5.460 | 1.730 |
| Rmerge | 0.206 | 0.025 | 0.747 |
| Rmeas | 0.221 | 0.027 | 0.802 |
| Rpim | 0.078 | 0.010 | 0.286 |
| Total number of observations | 243125 | 7836 | 34231 |
| Number of reflections | 32165 | 1100 | 4618 |
| <I/σ(I)> | 19.5 | 51.1 | 2.8 |
| Completeness [%] | 99.6 | 98.9 | 99.3 |
| Redundancy | 7.6 | 7.1 | 7.4 |
| CC(1/2) | 0.981 | 0.999 | 0.834 |
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 |
