7H9W
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12314
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 | 67.030, 91.540, 99.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.090 - 1.640 |
| R-factor | 0.1921 |
| Rwork | 0.191 |
| R-free | 0.21820 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.569 |
| 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] | 36.550 | 36.550 | 1.680 |
| High resolution limit [Å] | 1.640 | 7.330 | 1.640 |
| Rmerge | 0.101 | 0.033 | 1.515 |
| Rmeas | 0.105 | 0.035 | 1.595 |
| Rpim | 0.030 | 0.010 | 0.497 |
| Total number of observations | 455139 | 5276 | 28004 |
| Number of reflections | 36943 | 481 | 2743 |
| <I/σ(I)> | 16.4 | 49.9 | 1.6 |
| Completeness [%] | 98.0 | 98.8 | 100 |
| Redundancy | 12.3 | 11 | 10.2 |
| CC(1/2) | 0.998 | 0.999 | 0.594 |
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 |
