3WI6
Crystal structure of MAPKAP Kinase-2 (MK2) in complex with non-selective inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 180.061, 179.684, 254.101 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.990 |
| R-factor | 0.24241 |
| Rwork | 0.240 |
| R-free | 0.28292 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ny3 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.566 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 3.110 |
| High resolution limit [Å] | 2.990 | 3.000 |
| Rmerge | 0.078 | 0.434 |
| Number of reflections | 82725 | |
| <I/σ(I)> | 29.5 | 3.1 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.1M Na-Acetate, 1.6M Ammonium Sulphate, 200mM NaCl, 1.4mM Deoxi Big Chap, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
