7HBK
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13232
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 | 2024-01-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.560, 91.140, 99.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.900 - 2.140 |
| R-factor | 0.1925 |
| Rwork | 0.191 |
| R-free | 0.23120 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.704 |
| 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] | 29.650 | 29.650 | 2.200 |
| High resolution limit [Å] | 2.140 | 9.570 | 2.140 |
| Rmerge | 0.122 | 0.047 | 1.472 |
| Rmeas | 0.127 | 0.050 | 1.531 |
| Rpim | 0.036 | 0.016 | 0.417 |
| Total number of observations | 219919 | 1830 | 16389 |
| Number of reflections | 17199 | 215 | 1238 |
| <I/σ(I)> | 13.4 | 33.5 | 2 |
| Completeness [%] | 99.9 | 95.1 | 99.9 |
| Redundancy | 12.8 | 8.5 | 13.2 |
| CC(1/2) | 0.998 | 0.997 | 0.757 |
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 |
