6B1U
Structure of full-length human AMPK (a2b1g1) 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 | 2015-12-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.827, 133.897, 141.725 |
| Unit cell angles | 90.00, 92.74, 90.00 |
Refinement procedure
| Resolution | 48.640 - 2.770 |
| R-factor | 0.196 |
| Rwork | 0.194 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zhx |
| 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] | 48.640 | 2.830 |
| High resolution limit [Å] | 2.770 | 2.770 |
| Rmerge | 0.074 | 0.632 |
| Rpim | 0.048 | 0.412 |
| Number of reflections | 71788 | 4646 |
| <I/σ(I)> | 10.5 | 2.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.3 | 3.3 |
| CC(1/2) | 0.996 | 0.652 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | 8% PEG 3350, 0.1 M MgCl2, 1.0% glucose, 0.001% cocamidopropyl betaine and 0.1 M imidazole. |
