7H9P
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12541
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 | 65.900, 89.380, 100.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.740 - 1.640 |
| R-factor | 0.1711 |
| Rwork | 0.170 |
| R-free | 0.19100 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.667 |
| 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 | 1.680 |
| High resolution limit [Å] | 1.640 | 7.330 | 1.640 |
| Rmerge | 0.084 | 0.038 | 1.655 |
| Rmeas | 0.088 | 0.040 | 1.740 |
| Rpim | 0.025 | 0.012 | 0.528 |
| Total number of observations | 457792 | 4467 | 28581 |
| Number of reflections | 36534 | 458 | 2682 |
| <I/σ(I)> | 16.3 | 39.5 | 1.6 |
| Completeness [%] | 100.0 | 98.3 | 100 |
| Redundancy | 12.5 | 9.8 | 10.7 |
| CC(1/2) | 0.999 | 0.998 | 0.529 |
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 |
