7HBT
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-3621
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 | 65.960, 89.390, 100.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.350 - 1.380 |
| R-factor | 0.1699 |
| Rwork | 0.169 |
| R-free | 0.18300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.947 |
| 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] | 55.090 | 55.090 | 1.420 |
| High resolution limit [Å] | 1.380 | 6.170 | 1.380 |
| Rmerge | 0.044 | 0.038 | 0.639 |
| Rmeas | 0.046 | 0.040 | 0.726 |
| Rpim | 0.013 | 0.012 | 0.330 |
| Total number of observations | 655623 | 8543 | 17202 |
| Number of reflections | 59993 | 754 | 3857 |
| <I/σ(I)> | 25.5 | 55.5 | 1.9 |
| Completeness [%] | 98.3 | 98.9 | 86.7 |
| Redundancy | 10.9 | 11.3 | 4.5 |
| CC(1/2) | 1.000 | 0.998 | 0.720 |
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 |
