3BU6
Crystal structure of the insulin receptor kinase in complex with IRS2 KRLB phosphopeptide
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 | 2006-09-29 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.738, 84.724, 51.349 |
| Unit cell angles | 90.00, 113.13, 90.00 |
Refinement procedure
| Resolution | 47.250 - 1.950 |
| R-factor | 0.20213 |
| Rwork | 0.200 |
| R-free | 0.23858 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.173 |
| 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 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.071 | 0.332 |
| Number of reflections | 25301 | |
| <I/σ(I)> | 12 | 2.1 |
| Completeness [%] | 98.6 | 99.9 |
| Redundancy | 2.7 | 2.6 |
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 |
