7HAK
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-6793
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 | 67.820, 91.170, 99.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.540 - 1.720 |
| R-factor | 0.1915 |
| Rwork | 0.190 |
| R-free | 0.21570 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.785 |
| 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] | 33.540 | 33.540 | 1.760 |
| High resolution limit [Å] | 1.720 | 7.690 | 1.720 |
| Rmerge | 0.100 | 0.028 | 1.328 |
| Rmeas | 0.105 | 0.030 | 1.388 |
| Rpim | 0.029 | 0.009 | 0.401 |
| Total number of observations | 417596 | 4676 | 27792 |
| Number of reflections | 32432 | 416 | 2378 |
| <I/σ(I)> | 18.8 | 54.6 | 2.3 |
| Completeness [%] | 98.4 | 98.2 | 100 |
| Redundancy | 12.9 | 11.2 | 11.7 |
| CC(1/2) | 0.999 | 0.999 | 0.783 |
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 |
