7HBG
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13237
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 | 2023-07-23 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 65.731, 89.113, 99.516 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.610 - 1.690 |
| R-factor | 0.1643 |
| Rwork | 0.164 |
| R-free | 0.17580 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.935 |
| 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] | 54.850 | 54.850 | 1.780 |
| High resolution limit [Å] | 1.690 | 5.330 | 1.690 |
| Rmerge | 0.053 | 0.035 | 0.386 |
| Rmeas | 0.056 | 0.036 | 0.440 |
| Rpim | 0.016 | 0.010 | 0.205 |
| Total number of observations | 278346 | 13717 | 8931 |
| Number of reflections | 26570 | 1140 | 2100 |
| <I/σ(I)> | 26.1 | 50.4 | 2.9 |
| Completeness [%] | 79.9 | 99.1 | 44.2 |
| Redundancy | 10.5 | 12 | 4.3 |
| CC(1/2) | 0.999 | 0.999 | 0.842 |
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 |
