7HB4
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14472
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 | 68.200, 90.640, 98.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.610 - 1.870 |
| R-factor | 0.1643 |
| Rwork | 0.163 |
| R-free | 0.18840 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.110 |
| 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] | 29.610 | 29.610 | 1.920 |
| High resolution limit [Å] | 1.870 | 8.360 | 1.870 |
| Rmerge | 0.121 | 0.044 | 0.859 |
| Rmeas | 0.127 | 0.046 | 0.952 |
| Rpim | 0.037 | 0.014 | 0.395 |
| Total number of observations | 284683 | 3550 | 9345 |
| Number of reflections | 25385 | 321 | 1694 |
| <I/σ(I)> | 19 | 41.9 | 2.5 |
| Completeness [%] | 99.1 | 97.2 | 91.6 |
| Redundancy | 11.2 | 11.1 | 5.5 |
| CC(1/2) | 0.998 | 0.998 | 0.740 |
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 |
