7HAT
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12860
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 | 68.150, 90.490, 98.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.590 - 2.040 |
| R-factor | 0.1894 |
| Rwork | 0.188 |
| R-free | 0.21880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.749 |
| 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] | 30.340 | 30.340 | 2.090 |
| High resolution limit [Å] | 2.040 | 9.120 | 2.040 |
| Rmerge | 0.133 | 0.039 | 1.661 |
| Rmeas | 0.139 | 0.041 | 1.732 |
| Rpim | 0.039 | 0.013 | 0.486 |
| Total number of observations | 251557 | 2202 | 18358 |
| Number of reflections | 19771 | 254 | 1449 |
| <I/σ(I)> | 13.9 | 34.2 | 2.2 |
| Completeness [%] | 99.9 | 97.2 | 99.8 |
| Redundancy | 12.7 | 8.7 | 12.7 |
| CC(1/2) | 0.998 | 0.999 | 0.828 |
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 |
