5E1S
The Crystal structure of INSR Tyrosine Kinase in complex with the Inhibitor BI 885578
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.550, 70.370, 87.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.260 - 2.264 |
| R-factor | 0.215 |
| Rwork | 0.213 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1irk |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.980 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.260 | 2.272 |
| High resolution limit [Å] | 2.264 | 2.264 |
| Rmerge | 0.085 | 0.636 |
| Number of reflections | 16922 | |
| <I/σ(I)> | 14.3 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.4 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293 | 25% PEG 8000, 0.1M TRIS pH 7.3, 50mM NaCl, 5 mM DTT |
