7HBR
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with AS-5576
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 | 2023-09-04 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.387, 89.454, 100.576 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.420 - 1.910 |
| R-factor | 0.2603 |
| Rwork | 0.260 |
| R-free | 0.26100 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.082 |
| 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] | 66.840 | 66.840 | 2.010 |
| High resolution limit [Å] | 1.910 | 6.040 | 1.910 |
| Rmerge | 0.334 | 0.070 | 2.484 |
| Rmeas | 0.370 | 0.075 | 2.869 |
| Rpim | 0.153 | 0.027 | 1.383 |
| Total number of observations | 164098 | 6347 | 16825 |
| Number of reflections | 21863 | 828 | 2757 |
| <I/σ(I)> | 6.8 | 16.4 | 1.6 |
| Completeness [%] | 92.6 | 99.9 | 81.6 |
| Redundancy | 7.5 | 7.7 | 6.1 |
| CC(1/2) | 0.684 | 0.995 | 0.441 |
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 |
