1S9I
X-ray structure of the human mitogen-activated protein kinase kinase 2 (MEK2)in a complex with ligand and MgATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-08-02 |
| Detector | MARRESEARCH |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 161.888, 161.888, 122.986 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 14.400 - 3.200 |
| R-factor | 0.29401 |
| Rwork | 0.290 |
| R-free | 0.36374 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HUMAN MAP2K1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.217 |
| Data reduction software | TRUNCATE |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.400 | 3.280 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.088 | 0.368 |
| Number of reflections | 15147 | |
| <I/σ(I)> | 25.6 | 6 |
| Completeness [%] | 99.9 | 1 |
| Redundancy | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 288 | Sodium / Potassium phosphate, DTT, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 288K, pH 7.00 |
