7HAY
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14271
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 | 68.817, 90.264, 99.383 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.800 - 2.270 |
| R-factor | 0.1975 |
| Rwork | 0.195 |
| R-free | 0.23790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.418 |
| 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] | 56.580 | 56.580 | 2.390 |
| High resolution limit [Å] | 2.270 | 7.160 | 2.270 |
| Rmerge | 0.103 | 0.056 | 0.471 |
| Rmeas | 0.111 | 0.060 | 0.505 |
| Rpim | 0.041 | 0.022 | 0.178 |
| Total number of observations | 108037 | 3564 | 16011 |
| Number of reflections | 14339 | 502 | 2079 |
| <I/σ(I)> | 14.6 | 25.5 | 5.1 |
| Completeness [%] | 97.3 | 97.3 | 97.9 |
| Redundancy | 7.5 | 7.1 | 7.7 |
| CC(1/2) | 0.992 | 0.996 | 0.952 |
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 |
