7HBP
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13188
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.040, 89.480, 100.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.420 - 1.910 |
| R-factor | 0.1673 |
| Rwork | 0.166 |
| R-free | 0.20140 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.854 |
| 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] | 36.420 | 36.420 | 1.960 |
| High resolution limit [Å] | 1.910 | 8.540 | 1.910 |
| Rmerge | 0.071 | 0.032 | 0.513 |
| Rmeas | 0.074 | 0.034 | 0.558 |
| Rpim | 0.022 | 0.010 | 0.208 |
| Total number of observations | 254732 | 2794 | 10179 |
| Number of reflections | 23134 | 293 | 1518 |
| <I/σ(I)> | 21.4 | 45.9 | 3.4 |
| Completeness [%] | 99.1 | 97.6 | 89.9 |
| Redundancy | 11 | 9.5 | 6.7 |
| CC(1/2) | 0.999 | 0.999 | 0.869 |
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 |
