7HAR
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12616
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 | 2023-07-04 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 69.786, 88.960, 98.051 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.840 - 1.770 |
| R-factor | 0.179 |
| Rwork | 0.178 |
| R-free | 0.19450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.910 |
| 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] | 54.910 | 54.910 | 1.860 |
| High resolution limit [Å] | 1.770 | 5.580 | 1.770 |
| Rmerge | 0.051 | 0.024 | 0.988 |
| Rmeas | 0.053 | 0.025 | 1.026 |
| Rpim | 0.014 | 0.007 | 0.275 |
| Total number of observations | 386764 | 12761 | 58835 |
| Number of reflections | 29466 | 1057 | 4371 |
| <I/σ(I)> | 28.8 | 81.6 | 2.6 |
| Completeness [%] | 97.2 | 99.5 | 100 |
| Redundancy | 13.1 | 12.1 | 13.5 |
| CC(1/2) | 1.000 | 1.000 | 0.860 |
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 |
