7HA1
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FL0092
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 | 2024-01-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97919 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.930, 89.480, 100.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.800 - 1.460 |
| R-factor | 0.1754 |
| Rwork | 0.174 |
| R-free | 0.19600 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.726 |
| 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] | 31.300 | 31.300 | 1.500 |
| High resolution limit [Å] | 1.460 | 6.530 | 1.460 |
| Rmerge | 0.061 | 0.047 | 1.150 |
| Rmeas | 0.064 | 0.050 | 1.244 |
| Rpim | 0.018 | 0.015 | 0.459 |
| Total number of observations | 574631 | 6467 | 23973 |
| Number of reflections | 51301 | 649 | 3486 |
| <I/σ(I)> | 20.3 | 44.2 | 1.6 |
| Completeness [%] | 99.3 | 98.5 | 92.4 |
| Redundancy | 11.2 | 10 | 6.9 |
| CC(1/2) | 0.999 | 0.998 | 0.699 |
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 |
