8VMF
Crystal structure of a transition-state mimic of the GSK-3/Axin complex bound to a beta-catenin S45D peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-08-06 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.98401 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 82.251, 82.251, 280.354 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.070 - 2.500 |
R-factor | 0.2101 |
Rwork | 0.209 |
R-free | 0.25060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nm7 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.539 |
Data reduction software | XDS |
Data scaling software | pointless (1.9.33) |
Phasing software | PHENIX (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.070 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.233 | 2.733 |
Rmeas | 0.263 | 2.935 |
Rpim | 0.118 | 1.388 |
Number of reflections | 19517 | 2182 |
<I/σ(I)> | 4.8 | 0.5 |
Completeness [%] | 97.0 | 98.9 |
Redundancy | 4.4 | 4.5 |
CC(1/2) | 0.986 | 0.188 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 7.5 | 277 | 10% PEG35000, 20 mM Tris, pH 7.5, 300 mM sodium chloride, 5% glycerol, 10 mM magnesium chloride, 5 mM DTT, 200 uM ADP, 200 uM aluminum nitrate, 1.2 mM sodium fluoride |