7HBX
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with AS-5591
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 | 70.720, 89.620, 97.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.050 - 2.250 |
| R-factor | 0.2065 |
| Rwork | 0.204 |
| R-free | 0.25560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.544 |
| 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] | 66.110 | 66.110 | 2.310 |
| High resolution limit [Å] | 2.250 | 10.060 | 2.250 |
| Rmerge | 0.111 | 0.045 | 1.839 |
| Rmeas | 0.115 | 0.049 | 1.920 |
| Rpim | 0.033 | 0.017 | 0.547 |
| Total number of observations | 186424 | 1495 | 9778 |
| Number of reflections | 14788 | 194 | 803 |
| <I/σ(I)> | 15.4 | 34 | 1.3 |
| Completeness [%] | 97.8 | 96 | 73.7 |
| Redundancy | 12.6 | 7.7 | 12.2 |
| CC(1/2) | 0.998 | 0.998 | 0.901 |
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 |
