7H9L
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14229
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 | 66.031, 89.521, 100.229 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.300 - 1.420 |
| R-factor | 0.1628 |
| Rwork | 0.162 |
| R-free | 0.17200 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.902 |
| 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] | 53.140 | 53.140 | 1.500 |
| High resolution limit [Å] | 1.420 | 4.490 | 1.420 |
| Rmerge | 0.032 | 0.023 | 0.401 |
| Rmeas | 0.033 | 0.024 | 0.435 |
| Rpim | 0.009 | 0.007 | 0.163 |
| Total number of observations | 568524 | 22846 | 25382 |
| Number of reflections | 48968 | 1914 | 3851 |
| <I/σ(I)> | 38.4 | 96.2 | 3.1 |
| Completeness [%] | 87.1 | 99.5 | 47.7 |
| Redundancy | 11.6 | 11.9 | 6.6 |
| CC(1/2) | 1.000 | 1.000 | 0.901 |
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 |
