7B6F
GSK3-beta in complex with compound (S)-5c
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 57.692, 63.191, 132.180 |
Unit cell angles | 90.00, 97.41, 90.00 |
Refinement procedure
Resolution | 42.410 - 2.050 |
R-factor | 0.1756 |
Rwork | 0.174 |
R-free | 0.20930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gn1 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.862 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.410 | 2.110 |
High resolution limit [Å] | 2.050 | 2.050 |
Rpim | 0.036 | 0.373 |
Number of reflections | 28973 | 2204 |
<I/σ(I)> | 11.1 | 2.2 |
Completeness [%] | 97.7 | 96.8 |
Redundancy | 2.7 | 2.5 |
CC(1/2) | 0.998 | 0.713 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | protein solution: 10 mg/ml in buffer 25mM HEPES, pH 7.5, 200mM NaCl, 5% glycerol, 0.5mM TCEP reservoir:12% PEG 8000, 1 mM MgCl2, 0.5M NaCl and 0.1M Tris pH 8.0 |