7HBW
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-4774
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 | 2023-09-04 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.550, 89.330, 100.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.370 - 1.910 |
| R-factor | 0.2058 |
| Rwork | 0.205 |
| R-free | 0.22180 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.525 |
| 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] | 33.390 | 33.390 | 1.960 |
| High resolution limit [Å] | 1.910 | 8.540 | 1.910 |
| Rmerge | 0.141 | 0.048 | 0.912 |
| Rmeas | 0.148 | 0.051 | 1.027 |
| Rpim | 0.045 | 0.016 | 0.454 |
| Total number of observations | 259260 | 3238 | 7106 |
| Number of reflections | 22956 | 299 | 1346 |
| <I/σ(I)> | 14.2 | 37.9 | 2.2 |
| Completeness [%] | 97.2 | 97.9 | 79 |
| Redundancy | 11.3 | 10.8 | 5.3 |
| CC(1/2) | 0.993 | 0.996 | 0.829 |
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 |
