7HAZ
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12919
This is a non-PDB format compatible entry.
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 | 2024-01-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.582, 89.547, 100.016 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.420 - 1.680 |
| R-factor | 0.1786 |
| Rwork | 0.177 |
| R-free | 0.21080 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.710 |
| 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] | 66.710 | 66.710 | 1.770 |
| High resolution limit [Å] | 1.680 | 5.300 | 1.680 |
| Rmerge | 0.110 | 0.047 | 2.599 |
| Rmeas | 0.116 | 0.050 | 2.732 |
| Rpim | 0.033 | 0.015 | 0.822 |
| Total number of observations | 405622 | 13749 | 50863 |
| Number of reflections | 32490 | 1183 | 4704 |
| <I/σ(I)> | 12.6 | 33.1 | 1.2 |
| Completeness [%] | 95.0 | 99.9 | 95.4 |
| Redundancy | 12.5 | 11.6 | 10.8 |
| CC(1/2) | 0.989 | 0.998 | 0.397 |
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 |
