9D5G
Crystal structure of the ILK/alpha-parvin core complex bound to 4-methyl erlotinib
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-04-13 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.150, 117.923, 47.713 |
| Unit cell angles | 90.00, 101.58, 90.00 |
Refinement procedure
| Resolution | 40.610 - 1.550 |
| R-factor | 0.1951 |
| Rwork | 0.194 |
| R-free | 0.22060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.943 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.064 | 0.821 |
| Number of reflections | 66561 | 3285 |
| <I/σ(I)> | 36.7 | 2.73 |
| Completeness [%] | 96.5 | 95.3 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1 M Bis-Tris Propane, 15% PEG5000 MME, and 5% 1-Propanol |
