9TP9
Crystal structure of integrin-linked kinase (ILK) in complex with Alpha-Parvin and dihydroPelitinib
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-05-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.976254 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.836, 118.522, 47.494 |
| Unit cell angles | 90.00, 100.38, 90.00 |
Refinement procedure
| Resolution | 40.520 - 1.450 |
| R-factor | 0.1994 |
| Rwork | 0.198 |
| R-free | 0.21940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.971 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.520 | 1.502 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 84138 | 8418 |
| <I/σ(I)> | 23.47 | |
| Completeness [%] | 100.0 | 99.96 |
| Redundancy | 6.9 | 6.5 |
| CC(1/2) | 0.999 | 0.792 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | 0.1 M HEPES pH 7.5, 10% w/v Polyethylene glycol 8,000, 8% v/v Ethylene glycol |
