7HC3
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 3T-0629
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 | 67.380, 91.520, 99.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.640 - 2.220 |
| R-factor | 0.2504 |
| Rwork | 0.248 |
| R-free | 0.29300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.394 |
| 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] | 30.120 | 30.120 | 2.280 |
| High resolution limit [Å] | 2.220 | 9.930 | 2.220 |
| Rmerge | 0.186 | 0.034 | 0.407 |
| Rmeas | 0.195 | 0.036 | 0.442 |
| Rpim | 0.056 | 0.012 | 0.169 |
| Total number of observations | 182428 | 1633 | 1692 |
| Number of reflections | 14405 | 195 | 253 |
| <I/σ(I)> | 13 | 39.1 | 9 |
| Completeness [%] | 92.9 | 96 | 21.5 |
| Redundancy | 12.7 | 8.4 | 6.7 |
| CC(1/2) | 0.994 | 0.999 | 0.913 |
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 |
