7HAV
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12879
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 | 67.394, 90.968, 99.338 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.700 - 2.450 |
| R-factor | 0.1949 |
| Rwork | 0.193 |
| R-free | 0.23520 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.699 |
| 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] | 67.090 | 67.090 | 2.590 |
| High resolution limit [Å] | 2.450 | 7.760 | 2.450 |
| Rmerge | 0.190 | 0.037 | 1.016 |
| Rmeas | 0.210 | 0.042 | 1.115 |
| Rpim | 0.088 | 0.018 | 0.454 |
| Total number of observations | 57646 | 2086 | 9712 |
| Number of reflections | 10398 | 412 | 1658 |
| <I/σ(I)> | 8.7 | 24.3 | 2.3 |
| Completeness [%] | 90.3 | 98.7 | 99.8 |
| Redundancy | 5.5 | 5.1 | 5.9 |
| CC(1/2) | 0.993 | 0.998 | 0.667 |
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 |
