7HB2
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FL0184
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 | 66.850, 90.720, 99.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.910 - 1.670 |
| R-factor | 0.1641 |
| Rwork | 0.163 |
| R-free | 0.17960 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.146 |
| 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] | 29.900 | 29.900 | 1.710 |
| High resolution limit [Å] | 1.670 | 7.470 | 1.670 |
| Rmerge | 0.093 | 0.036 | 1.718 |
| Rmeas | 0.097 | 0.038 | 1.804 |
| Rpim | 0.027 | 0.012 | 0.541 |
| Total number of observations | 445927 | 4278 | 28194 |
| Number of reflections | 35303 | 431 | 2578 |
| <I/σ(I)> | 15.7 | 42.5 | 1.6 |
| Completeness [%] | 99.9 | 96.8 | 99.9 |
| Redundancy | 12.6 | 9.9 | 10.9 |
| CC(1/2) | 0.999 | 0.999 | 0.595 |
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 |
