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 |