7HB3
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13043
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 | 2023-07-22 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 69.542, 90.082, 98.717 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.430 - 2.340 |
| R-factor | 0.1841 |
| Rwork | 0.182 |
| R-free | 0.23730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.624 |
| 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] | 56.850 | 56.850 | 2.470 |
| High resolution limit [Å] | 2.340 | 7.410 | 2.340 |
| Rmerge | 0.143 | 0.043 | 0.957 |
| Rmeas | 0.150 | 0.045 | 1.002 |
| Rpim | 0.046 | 0.014 | 0.295 |
| Total number of observations | 142603 | 4463 | 21808 |
| Number of reflections | 13369 | 474 | 1910 |
| <I/σ(I)> | 13.4 | 31.7 | 3 |
| Completeness [%] | 99.9 | 99.1 | 99.8 |
| Redundancy | 10.7 | 9.4 | 11.4 |
| CC(1/2) | 0.998 | 0.999 | 0.821 |
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 |
