5ISO
STRUCTURE OF FULL LENGTH HUMAN AMPK (NON-PHOSPHORYLATED AT T-LOOP) 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 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-29 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.420, 129.390, 139.280 |
| Unit cell angles | 90.00, 92.73, 90.00 |
Refinement procedure
| Resolution | 19.974 - 2.630 |
| R-factor | 0.1804 |
| Rwork | 0.178 |
| R-free | 0.22960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cfe |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.847 |
| Data reduction software | xia2 |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 47.370 |
| High resolution limit [Å] | 2.630 |
| Number of reflections | 78641 |
| <I/σ(I)> | 14.6 |
| Completeness [%] | 99.9 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 277 | 12% PEG3350, 300 mM Guanidine in 100mM PIPES buffer at pH 7.2. |
