7HB0
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12780
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 | 2023-07-22 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.177, 89.549, 100.432 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.610 - 1.780 |
| R-factor | 0.1679 |
| Rwork | 0.166 |
| R-free | 0.19930 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.993 |
| 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] | 66.840 | 66.840 | 1.870 |
| High resolution limit [Å] | 1.780 | 5.620 | 1.780 |
| Rmerge | 0.068 | 0.040 | 0.251 |
| Rmeas | 0.073 | 0.043 | 0.306 |
| Rpim | 0.026 | 0.015 | 0.170 |
| Total number of observations | 188153 | 7688 | 9742 |
| Number of reflections | 28431 | 1005 | 3653 |
| <I/σ(I)> | 17.1 | 33.2 | 2.9 |
| Completeness [%] | 98.0 | 99.4 | 87.9 |
| Redundancy | 6.6 | 7.6 | 2.7 |
| CC(1/2) | 0.998 | 0.998 | 0.918 |
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 |
