7HA0
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12546
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 | 2023-07-05 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.700, 89.300, 99.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.100 - 1.470 |
| R-factor | 0.1683 |
| Rwork | 0.168 |
| R-free | 0.18380 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.938 |
| 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] | 54.830 | 54.830 | 1.510 |
| High resolution limit [Å] | 1.470 | 6.570 | 1.470 |
| Rmerge | 0.042 | 0.028 | 0.779 |
| Rmeas | 0.044 | 0.030 | 0.891 |
| Rpim | 0.013 | 0.009 | 0.420 |
| Total number of observations | 538406 | 7152 | 13726 |
| Number of reflections | 49588 | 631 | 3296 |
| <I/σ(I)> | 27.2 | 69.7 | 1.7 |
| Completeness [%] | 99.1 | 99.5 | 91.1 |
| Redundancy | 10.9 | 11.3 | 4.2 |
| CC(1/2) | 1.000 | 0.999 | 0.606 |
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 |
