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 |
