7HAO
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13777
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 | 67.540, 91.350, 98.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.960 - 1.830 |
| R-factor | 0.1823 |
| Rwork | 0.181 |
| R-free | 0.21030 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.782 |
| 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] | 36.530 | 36.530 | 1.880 |
| High resolution limit [Å] | 1.830 | 8.180 | 1.830 |
| Rmerge | 0.085 | 0.031 | 1.848 |
| Rmeas | 0.088 | 0.033 | 1.919 |
| Rpim | 0.024 | 0.010 | 0.517 |
| Total number of observations | 361537 | 3725 | 27121 |
| Number of reflections | 27292 | 350 | 1983 |
| <I/σ(I)> | 18.2 | 50.9 | 1.6 |
| Completeness [%] | 100.0 | 98.5 | 100 |
| Redundancy | 13.2 | 10.6 | 13.7 |
| CC(1/2) | 0.999 | 0.999 | 0.663 |
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 |
