5KB6
High-resolution structure of the adenosine kinase from Mus musculus in complex with adenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.839, 82.159, 89.189 |
| Unit cell angles | 90.00, 92.69, 90.00 |
Refinement procedure
| Resolution | 20.760 - 1.200 |
| R-factor | 0.1417 |
| Rwork | 0.141 |
| R-free | 0.15890 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.387 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.220 |
| High resolution limit [Å] | 1.200 | 3.260 | 1.200 |
| Rmerge | 0.054 | 0.032 | 0.653 |
| Number of reflections | 228026 | ||
| <I/σ(I)> | 12 | ||
| Completeness [%] | 99.8 | 97.2 | 99.9 |
| Redundancy | 4 | 4.3 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291 | 50% (v/v) PEG400 0.2 M lithium sulphate 0.1 M sodium acetate 2.5 mM adenosine |
