7HBQ
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FS-2731
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 | 70.497, 88.697, 96.604 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.340 - 2.730 |
| R-factor | 0.2254 |
| Rwork | 0.223 |
| R-free | 0.26480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.487 |
| 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] | 65.340 | 65.340 | 2.800 |
| High resolution limit [Å] | 2.730 | 12.210 | 2.730 |
| Rmerge | 0.419 | 0.146 | 2.165 |
| Rmeas | 0.437 | 0.154 | 2.255 |
| Rpim | 0.124 | 0.049 | 0.626 |
| Total number of observations | 103275 | 974 | 7639 |
| Number of reflections | 8352 | 116 | 593 |
| <I/σ(I)> | 4.8 | 9.1 | 1.3 |
| Completeness [%] | 100.0 | 99.1 | 100 |
| Redundancy | 12.4 | 8.4 | 12.9 |
| CC(1/2) | 0.981 | 0.993 | 0.410 |
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 |
