7HBA
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13425
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 | 70.000, 89.210, 97.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.440 - 2.150 |
| R-factor | 0.2009 |
| Rwork | 0.200 |
| R-free | 0.21340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.469 |
| 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] | 30.890 | 30.890 | 2.210 |
| High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
| Rmerge | 0.106 | 0.043 | 1.510 |
| Rmeas | 0.111 | 0.045 | 1.570 |
| Rpim | 0.031 | 0.015 | 0.427 |
| Total number of observations | 217117 | 1747 | 16290 |
| Number of reflections | 16893 | 207 | 1226 |
| <I/σ(I)> | 15.7 | 40.6 | 1.9 |
| Completeness [%] | 99.9 | 93.9 | 100 |
| Redundancy | 12.9 | 8.4 | 13.3 |
| CC(1/2) | 0.999 | 0.997 | 0.720 |
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 |
