7HB1
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12936
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 | 2023-07-22 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.254, 89.753, 100.108 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.620 - 1.660 |
| R-factor | 0.163 |
| Rwork | 0.161 |
| R-free | 0.19340 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.027 |
| 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] | 66.830 | 66.830 | 1.740 |
| High resolution limit [Å] | 1.660 | 5.230 | 1.660 |
| Rmerge | 0.034 | 0.026 | 0.236 |
| Rmeas | 0.035 | 0.027 | 0.301 |
| Rpim | 0.010 | 0.008 | 0.183 |
| Total number of observations | 286006 | 14341 | 7197 |
| Number of reflections | 31073 | 1237 | 3072 |
| <I/σ(I)> | 37.3 | 81.7 | 2.9 |
| Completeness [%] | 86.8 | 99.5 | 60 |
| Redundancy | 9.2 | 11.6 | 2.3 |
| CC(1/2) | 1.000 | 1.000 | 0.886 |
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 |
