8Z3J
Benzbromarone interferes with the interaction between Hsp90 and Aha1 by interacting with both of them
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2021-06-20 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 0.979150 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 54.216, 66.802, 68.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.130 - 1.520 |
| R-factor | 0.17156 |
| Rwork | 0.170 |
| R-free | 0.19880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.821 |
| Data reduction software | XDS (0.94) |
| Data scaling software | XDS (0.94) |
| Phasing software | MOLREP (11.7.03) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.130 | 1.570 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Number of reflections | 19379 | 1880 |
| <I/σ(I)> | 25.97 | |
| Completeness [%] | 99.8 | |
| Redundancy | 2 | |
| CC(1/2) | 1.000 | 0.976 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M MMT, pH6.5 20% PEG1500 |
