5KQ5
AMPK bound to allosteric activator
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 124.500, 124.500, 402.250 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.900 - 3.410 |
| R-factor | 0.2225 |
| Rwork | 0.221 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qfg |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.160 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT (2.11.6) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 3.460 |
| High resolution limit [Å] | 3.400 | 9.150 | 3.400 |
| Rmerge | 0.138 | 0.034 | 0.681 |
| Total number of observations | 105416 | ||
| Number of reflections | 25248 | ||
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 96.2 | 92.5 | 94.2 |
| Redundancy | 4.2 | 3.9 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | ~750 mM Ammonium Acetate, 500 mM Lithium Sulfate, 100 mM trisodium citrate, 1% ethylene glycol |
