4CFF
Structure of full length human AMPK in complex with a small molecule activator, a thienopyridone derivative (A-769662)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PIXEL |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.019, 134.787, 141.286 |
Unit cell angles | 90.00, 93.04, 90.00 |
Refinement procedure
Resolution | 19.934 - 3.924 |
R-factor | 0.2109 |
Rwork | 0.208 |
R-free | 0.26370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 2Y94 2f15 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.684 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 4.140 |
High resolution limit [Å] | 3.920 | 3.920 |
Rmerge | 0.080 | 0.330 |
Number of reflections | 23906 | |
<I/σ(I)> | 9.8 | 2.2 |
Completeness [%] | 95.0 | 83 |
Redundancy | 3.2 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | CRYSTALS WERE GROWN BY THE HANGING DROP METHOD WITH RESERVOIR SOLUTION CONTAINING 13% PEG3350, 0.1M MGCL2, 1% GLUCOSE, 0.15% CAPB IN 0.1M IMIDAZOLE AT PH 6.2. |