7HA5
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-3550
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 | 65.820, 89.490, 100.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.480 - 1.530 |
| R-factor | 0.1699 |
| Rwork | 0.169 |
| R-free | 0.18700 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.690 |
| 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] | 36.480 | 36.480 | 1.570 |
| High resolution limit [Å] | 1.530 | 6.840 | 1.530 |
| Rmerge | 0.062 | 0.031 | 0.943 |
| Rmeas | 0.064 | 0.033 | 1.029 |
| Rpim | 0.018 | 0.010 | 0.399 |
| Total number of observations | 528332 | 6433 | 19905 |
| Number of reflections | 44979 | 563 | 3193 |
| <I/σ(I)> | 19.9 | 53.2 | 1.7 |
| Completeness [%] | 99.8 | 98.9 | 98.2 |
| Redundancy | 11.7 | 11.4 | 6.2 |
| CC(1/2) | 0.999 | 0.996 | 0.617 |
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 |
