7OY5
Crystal structure of GSK3Beta in complex with ARN25068
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.570, 86.070, 178.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 89.290 - 2.570 |
| R-factor | 0.2207 |
| Rwork | 0.219 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6h0u |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.752 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.300 | 2.670 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Number of reflections | 41531 | 4630 |
| <I/σ(I)> | 6.2 | 1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 11.4 | 9.6 |
| CC(1/2) | 0.960 | 0.570 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 15-20%PEG 3350, 50 mM Magnesium chloride, 20 mM Hepes 7.4 |
