7H9S
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FS-3027
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 | 65.830, 89.400, 99.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.560 - 2.170 |
| R-factor | 0.1739 |
| Rwork | 0.172 |
| R-free | 0.20420 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.824 |
| 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] | 29.510 | 29.510 | 2.230 |
| High resolution limit [Å] | 2.170 | 9.700 | 2.170 |
| Rmerge | 0.141 | 0.040 | 1.380 |
| Rmeas | 0.147 | 0.042 | 1.436 |
| Rpim | 0.041 | 0.014 | 0.393 |
| Total number of observations | 202113 | 1706 | 15211 |
| Number of reflections | 15954 | 201 | 1152 |
| <I/σ(I)> | 13 | 32 | 2.2 |
| Completeness [%] | 99.9 | 95.4 | 100 |
| Redundancy | 12.7 | 8.5 | 13.2 |
| CC(1/2) | 0.999 | 0.999 | 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 |
