8AUZ
Crystal structure of GSK3 beta (GSK3b) in complex with FL291.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.417, 114.880, 67.530 |
Unit cell angles | 90.00, 99.37, 90.00 |
Refinement procedure
Resolution | 66.630 - 2.660 |
R-factor | 0.1717 |
Rwork | 0.169 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q3d |
RMSD bond length | 0.009 |
RMSD bond angle | 1.197 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.630 | 66.630 | 2.800 |
High resolution limit [Å] | 2.660 | 8.410 | 2.660 |
Rmerge | 0.073 | 0.046 | 0.545 |
Rmeas | 0.103 | 0.054 | 0.759 |
Rpim | 0.054 | 0.027 | 0.392 |
Number of reflections | 29204 | 950 | 4270 |
<I/σ(I)> | 10.9 | 2 | |
Completeness [%] | 99.9 | 99.8 | 99.9 |
Redundancy | 3.5 | 3.6 | 3.6 |
CC(1/2) | 0.997 | 0.998 | 0.534 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277.15 | 14% PEG 3350, 0.1 M ammonium sulfate and 0.1 M bis-tris pH 6.0 |