7U33
Crystal structure of human GSK3B in complex with ARN9133
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-09 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.640, 85.698, 178.261 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 77.360 - 2.600 |
R-factor | 0.2331 |
Rwork | 0.231 |
R-free | 0.26410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1i09 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.425 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.360 | 2.710 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 39706 | 4411 |
<I/σ(I)> | 9.4 | |
Completeness [%] | 99.9 | |
Redundancy | 12.9 | |
CC(1/2) | 0.997 | 0.368 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | PEG3350, Sodium Chloride, Hepes |