3ETA
Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2005-07-13 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.105, 94.751, 129.858 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.700 - 2.600 |
| R-factor | 0.20337 |
| Rwork | 0.201 |
| R-free | 0.23202 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1irk |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.999 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.700 | 2.660 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.100 | 0.460 |
| Number of reflections | 31888 | |
| <I/σ(I)> | 14.4 | 2.44 |
| Completeness [%] | 99.5 | 98.05 |
| Redundancy | 6.9 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 0.1 M MOPS pH 7.0, 1.1 M sodium citrate, 1% Jeffamine M89, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
