3BU5
Crystal structure of the insulin receptor kinase in complex with IRS2 KRLB peptide and ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-04 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.750, 84.428, 50.601 |
| Unit cell angles | 90.00, 112.88, 90.00 |
Refinement procedure
| Resolution | 46.630 - 2.100 |
| R-factor | 0.19625 |
| Rwork | 0.194 |
| R-free | 0.23927 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.064 | 0.325 |
| Number of reflections | 19937 | |
| <I/σ(I)> | 13.8 | 2.7 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 28% PEG8000 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
