7H9Z
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12500
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 | 2024-01-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97919 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.720, 91.000, 98.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.560 - 2.060 |
| R-factor | 0.2363 |
| Rwork | 0.235 |
| R-free | 0.26100 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.003 |
| 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] | 30.210 | 30.210 | 2.110 |
| High resolution limit [Å] | 2.060 | 9.210 | 2.060 |
| Rmerge | 0.150 | 0.083 | 1.174 |
| Rmeas | 0.158 | 0.088 | 1.235 |
| Rpim | 0.046 | 0.028 | 0.378 |
| Total number of observations | 204182 | 2063 | 14481 |
| Number of reflections | 17561 | 239 | 1386 |
| <I/σ(I)> | 10.4 | 20.9 | 2.3 |
| Completeness [%] | 91.4 | 94.4 | 99.6 |
| Redundancy | 11.6 | 8.6 | 10.4 |
| CC(1/2) | 0.996 | 0.995 | 0.699 |
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 |
