4CFE
Structure of full length human AMPK in complex with a small molecule activator, a benzimidazole derivative (991)
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 | 76.030, 134.141, 140.558 |
| Unit cell angles | 90.00, 92.42, 90.00 |
Refinement procedure
| Resolution | 19.914 - 3.023 |
| R-factor | 0.2194 |
| Rwork | 0.218 |
| R-free | 0.25290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 2Y94 2f15 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.653 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.210 |
| High resolution limit [Å] | 3.020 | 3.020 |
| Rmerge | 0.040 | 0.440 |
| Number of reflections | 50545 | |
| <I/σ(I)> | 21 | 2.2 |
| Completeness [%] | 93.4 | 95 |
| Redundancy | 2.7 | 2.7 |
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. |
