7HAL
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12580
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 | 2023-07-03 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.890, 91.420, 99.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.140 - 1.650 |
| R-factor | 0.1768 |
| Rwork | 0.176 |
| R-free | 0.19390 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.959 |
| 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] | 31.140 | 31.140 | 1.690 |
| High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
| Rmerge | 0.181 | 0.063 | 1.380 |
| Rmeas | 0.189 | 0.066 | 1.454 |
| Rpim | 0.053 | 0.019 | 0.453 |
| Total number of observations | 461950 | 5453 | 27795 |
| Number of reflections | 37011 | 470 | 2714 |
| <I/σ(I)> | 10.3 | 22.5 | 1.7 |
| Completeness [%] | 100.0 | 98.6 | 100 |
| Redundancy | 12.5 | 11.6 | 10.2 |
| CC(1/2) | 0.997 | 0.996 | 0.584 |
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 |
