7MYJ
Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011
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 | 2019-04-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.71073 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.844, 134.199, 141.821 |
| Unit cell angles | 90.00, 92.55, 90.00 |
Refinement procedure
| Resolution | 48.720 - 2.950 |
| R-factor | 0.215 |
| Rwork | 0.213 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6b1u |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.980 |
| 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] | 48.720 | 3.055 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.053 | 0.370 |
| Rmeas | 0.075 | 0.523 |
| Rpim | 0.053 | 0.369 |
| Number of reflections | 59194 | 5846 |
| <I/σ(I)> | 10.7 | 2.2 |
| Completeness [%] | 98.9 | 97.82 |
| Redundancy | 2.4 | 2.2 |
| CC(1/2) | 0.995 | 0.735 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277.15 | 8-10% PEG3350, 1% glucose, 0.1 M magnesium chloride, 0.1 M imidazole, 0.0005-0.003% CAPB |
