7HBN
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13145
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 | 2023-07-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.060, 89.390, 100.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.710 - 1.990 |
| R-factor | 0.1849 |
| Rwork | 0.184 |
| R-free | 0.20510 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.554 |
| 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 | 2.040 |
| High resolution limit [Å] | 1.990 | 8.900 | 1.990 |
| Rmerge | 0.149 | 0.043 | 0.987 |
| Rmeas | 0.156 | 0.045 | 1.078 |
| Rpim | 0.046 | 0.014 | 0.419 |
| Total number of observations | 223194 | 2565 | 9142 |
| Number of reflections | 20590 | 269 | 1486 |
| <I/σ(I)> | 13.6 | 33.8 | 2.2 |
| Completeness [%] | 99.3 | 97.5 | 99.2 |
| Redundancy | 10.8 | 9.5 | 6.2 |
| CC(1/2) | 0.998 | 0.998 | 0.621 |
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 |
