3M2W
Crystal structure of MAPKAK kinase 2 (MK2) complexed with a spiroazetidine-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 | 2008-01-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00014 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 102.982, 102.982, 165.433 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.260 - 2.410 |
| R-factor | 0.18723 |
| Rwork | 0.185 |
| R-free | 0.22685 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.384 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.510 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.130 | 0.582 |
| Number of reflections | 20549 | |
| <I/σ(I)> | 18 | 4.5 |
| Completeness [%] | 97.9 | 84.9 |
| Redundancy | 11.7 | 11.6 |
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 |
