3M42
Crystal structure of MAPKAP kinase 2 (MK2) complexed with a tetracyclic ATP site inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9918 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 103.200, 103.200, 166.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.330 - 2.680 |
| Rwork | 0.186 |
| R-free | 0.23200 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.790 |
| High resolution limit [Å] | 2.680 | 2.680 |
| Rmerge | 0.135 | 0.792 |
| Number of reflections | 15219 | |
| <I/σ(I)> | 15.74 | 3.06 |
| Completeness [%] | 98.9 | 99.9 |
| Redundancy | 9.35 | 9.51 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 3.0M Na Formate, 0.1M Na Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
