7H9U
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12864
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97919 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.350, 90.030, 100.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.760 - 1.940 |
| R-factor | 0.1922 |
| Rwork | 0.190 |
| R-free | 0.22970 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.977 |
| 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] | 29.740 | 29.740 | 1.990 |
| High resolution limit [Å] | 1.940 | 8.680 | 1.940 |
| Rmerge | 0.123 | 0.038 | 4.590 |
| Rmeas | 0.129 | 0.040 | 4.787 |
| Rpim | 0.037 | 0.013 | 1.343 |
| Total number of observations | 270685 | 2657 | 16583 |
| Number of reflections | 21735 | 289 | 1306 |
| <I/σ(I)> | 14.8 | 37.6 | 0.6 |
| Completeness [%] | 95.8 | 97.3 | 79.6 |
| Redundancy | 12.5 | 9.2 | 12.7 |
| CC(1/2) | 0.998 | 0.999 | 0.699 |
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 |
