4NU1
Crystal structure of a transition state mimic of the GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 78 |
| Detector technology | CCD |
| Collection date | 2013-11-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 80.997, 80.997, 280.530 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.498 - 2.500 |
| R-factor | 0.1939 |
| Rwork | 0.191 |
| R-free | 0.24520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nm3 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.633 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.2.8) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.760 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 19922 | |
| <I/σ(I)> | 13 | 0.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21 | 21.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 7.5 | 277 | 10% PEG 35,000, 20mM Tris pH7.5, 300mM NaCl, 5% glycerol, 10mM MgCl2, 200uM ATP, and 5mM DTT, MICRODIALYSIS, temperature 277K |
