2QRE
Crystal structure of the adenylate sensor from AMP-activated protein kinase in complex with 5-aminoimidazole-4-carboxamide 1-beta-D-ribofuranotide (ZMP)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97926 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.470, 78.146, 108.512 |
| Unit cell angles | 90.00, 124.04, 90.00 |
Refinement procedure
| Resolution | 41.340 - 3.010 |
| R-factor | 0.23853 |
| Rwork | 0.235 |
| R-free | 0.29736 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 200y |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.439 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.180 | 0.630 |
| Number of reflections | 20826 | |
| <I/σ(I)> | 4.6 | 1.5 |
| Completeness [%] | 89.3 | 96 |
| Redundancy | 3.9 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 6-10% PEG 3350, 0.1M sodium citrate, pH 5.5, 2mM ZMP, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
