7H9Q
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13944
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-05 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.818, 89.196, 100.037 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.230 - 1.510 |
| R-factor | 0.1692 |
| Rwork | 0.168 |
| R-free | 0.18790 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.748 |
| 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] | 52.960 | 52.960 | 1.590 |
| High resolution limit [Å] | 1.510 | 4.780 | 1.510 |
| Rmerge | 0.051 | 0.033 | 0.458 |
| Rmeas | 0.054 | 0.035 | 0.503 |
| Rpim | 0.017 | 0.011 | 0.198 |
| Total number of observations | 422710 | 15131 | 33881 |
| Number of reflections | 45292 | 1579 | 5779 |
| <I/σ(I)> | 21.9 | 52.1 | 2.8 |
| Completeness [%] | 98.0 | 99.4 | 87.2 |
| Redundancy | 9.3 | 9.6 | 5.9 |
| CC(1/2) | 0.999 | 0.999 | 0.873 |
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 |
