7HAP
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13088
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 | 2024-01-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.700, 91.720, 98.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.660 - 2.350 |
| R-factor | 0.2063 |
| Rwork | 0.204 |
| R-free | 0.24830 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.480 |
| 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] | 30.240 | 30.240 | 2.410 |
| High resolution limit [Å] | 2.350 | 10.510 | 2.350 |
| Rmerge | 0.172 | 0.050 | 1.811 |
| Rmeas | 0.179 | 0.054 | 1.885 |
| Rpim | 0.050 | 0.018 | 0.520 |
| Total number of observations | 168608 | 1320 | 12345 |
| Number of reflections | 13175 | 168 | 957 |
| <I/σ(I)> | 11.4 | 29.6 | 1.6 |
| Completeness [%] | 99.9 | 95.2 | 100 |
| Redundancy | 12.8 | 7.9 | 12.9 |
| CC(1/2) | 0.997 | 0.992 | 0.603 |
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 |
