3KGA
Crystal structure of MAPKAP kinase 2 (MK2) complexed with a potent 3-aminopyrazole 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 | 2007-11-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.99990 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 103.120, 103.120, 165.415 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.300 - 2.550 |
| R-factor | 0.18274 |
| Rwork | 0.180 |
| R-free | 0.23459 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.503 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.3.0040) |
| Refinement software | REFMAC (5.3.0040) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.660 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.108 | 0.526 |
| Number of reflections | 17605 | |
| <I/σ(I)> | 17.1 | 3.9 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 7.7 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 298 | 0.1M BICINE, 1.3M SODIUM MALONATE, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
