6B2E
Structure of full length human AMPK (a2b2g1) in complex with a small molecule activator SC4.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 113.936, 118.848, 138.096 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.150 - 3.800 |
| R-factor | 0.246 |
| Rwork | 0.244 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6BIU 4rer |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.150 | 4.250 |
| High resolution limit [Å] | 3.800 | 3.800 |
| Rmerge | 0.202 | 0.868 |
| Rpim | 0.082 | 0.447 |
| Number of reflections | 17814 | 4750 |
| <I/σ(I)> | 8 | 2.4 |
| Completeness [%] | 94.0 | 89.6 |
| Redundancy | 6.4 | |
| CC(1/2) | 0.986 | 0.659 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 6-8% PEG 3350, 0.1 M MgCl2, 0.001% cocamidopropyl betaine and 0.1 M imidazole |
