9TPD
Crystal structure of integrin-linked kinase (ILK) in complex with alpha-parvin and a cyano-quinoline ligand
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 | 2024-06-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.976269 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.860, 118.370, 47.600 |
| Unit cell angles | 90.00, 100.91, 90.00 |
Refinement procedure
| Resolution | 43.070 - 1.500 |
| R-factor | 0.1915 |
| Rwork | 0.189 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.131 |
| 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] | 43.070 | 1.554 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.033 | 0.273 |
| Rmeas | 0.033 | 0.294 |
| Rpim | 0.013 | 0.108 |
| Number of reflections | 74633 | 7352 |
| <I/σ(I)> | 26.87 | 6.23 |
| Completeness [%] | 98.2 | 97.29 |
| Redundancy | 7.1 | 7.3 |
| CC(1/2) | 0.999 | 0.965 |
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 |
