5KB5
Crystal structure of the adenosine kinase from Mus musculus in complex with adenosine and adenosine-diphosphate
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 | 2013-04-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.459 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.264, 73.559, 84.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.630 - 1.800 |
| R-factor | 0.1673 |
| Rwork | 0.166 |
| R-free | 0.19990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bx4 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.849 |
| Data reduction software | HKL-2000 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.093 | 0.035 | 0.732 |
| Number of reflections | 28540 | ||
| <I/σ(I)> | 9.4 | ||
| Completeness [%] | 97.6 | 98 | 98.8 |
| Redundancy | 4.2 | 4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 40% PEG400 15% PEG1000 0.15M Sodium di-potassium phosphate |
