7HAB
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12700
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 | 2023-07-03 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.136, 89.422, 100.019 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.430 - 1.500 |
| R-factor | 0.1622 |
| Rwork | 0.161 |
| R-free | 0.18480 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.506 |
| 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] | 44.710 | 44.710 | 1.580 |
| High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
| Rmerge | 0.041 | 0.025 | 0.434 |
| Rmeas | 0.043 | 0.027 | 0.472 |
| Rpim | 0.012 | 0.008 | 0.181 |
| Total number of observations | 538093 | 19513 | 39581 |
| Number of reflections | 47287 | 1640 | 6238 |
| <I/σ(I)> | 29.1 | 77.1 | 2.9 |
| Completeness [%] | 98.6 | 99.6 | 90.7 |
| Redundancy | 11.4 | 11.9 | 6.3 |
| CC(1/2) | 1.000 | 0.999 | 0.904 |
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 |
