1RQQ
Crystal Structure of the Insulin Receptor Kinase in Complex with the SH2 Domain of APS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2003-11-03 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.216, 96.443, 121.993 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.600 |
| R-factor | 0.229 |
| Rwork | 0.229 |
| R-free | 0.27900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1GAG 1rpy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.039 * | 0.164 * |
| Total number of observations | 156301 * | |
| Number of reflections | 32437 | |
| <I/σ(I)> | 22.4 | |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 | 4 * | pH 8.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | APS(SH)-IRK complex | 7 (mg/ml) | |
| 3 | 1 | drop | bisubstrate inhibitor | 0.33 (mM) | |
| 4 | 1 | drop | 1 (mM) | ||
| 5 | 1 | reservoir | PEG8000 | 15 (%(w/v)) | |
| 6 | 1 | reservoir | HEPES | 100 (mM) | pH8.0 |
| 7 | 1 | reservoir | 125 (mM) | ||
| 8 | 1 | reservoir | 50 (mM) | ||
| 9 | 1 | reservoir | ethanol | 3 (%(v/v)) |
