7HA2
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14256
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-05 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.897, 89.204, 100.016 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.230 - 1.730 |
| R-factor | 0.1771 |
| Rwork | 0.176 |
| R-free | 0.20290 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.759 |
| 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] | 34.650 | 34.650 | 1.820 |
| High resolution limit [Å] | 1.730 | 5.460 | 1.730 |
| Rmerge | 0.066 | 0.028 | 0.591 |
| Rmeas | 0.073 | 0.030 | 0.650 |
| Rpim | 0.030 | 0.012 | 0.267 |
| Total number of observations | 170134 | 5693 | 24767 |
| Number of reflections | 29755 | 1018 | 4388 |
| <I/σ(I)> | 16.7 | 44.3 | 2.8 |
| Completeness [%] | 95.2 | 96.3 | 97 |
| Redundancy | 5.7 | 5.6 | 5.6 |
| CC(1/2) | 0.999 | 0.999 | 0.831 |
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 |
