7HBV
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-4833
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 | 66.000, 89.520, 99.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.590 - 1.560 |
| R-factor | 0.1651 |
| Rwork | 0.164 |
| R-free | 0.18860 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.257 |
| 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] | 29.570 | 29.570 | 1.600 |
| High resolution limit [Å] | 1.560 | 6.980 | 1.560 |
| Rmerge | 0.091 | 0.039 | 1.427 |
| Rmeas | 0.095 | 0.041 | 1.508 |
| Rpim | 0.027 | 0.013 | 0.483 |
| Total number of observations | 512949 | 5242 | 29562 |
| Number of reflections | 42389 | 528 | 3090 |
| <I/σ(I)> | 16 | 41.4 | 1.7 |
| Completeness [%] | 99.9 | 98.3 | 100 |
| Redundancy | 12.1 | 9.9 | 9.6 |
| CC(1/2) | 0.999 | 0.997 | 0.634 |
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 |
