1S9J
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) 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 | 2001-05-31 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 62 |
| Unit cell lengths | 81.591, 81.591, 129.213 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.700 - 2.400 |
| R-factor | 0.24577 |
| Rwork | 0.245 |
| R-free | 0.26933 |
| Structure solution method | Iodine-SAD |
| Starting model (for MR) | Iodine substructure |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.966 |
| Data reduction software | HKL-2000 |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | CNX |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.052 | 0.320 |
| Number of reflections | 18389 | |
| <I/σ(I)> | 31 | 1.8 |
| Completeness [%] | 0.74 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 288 | PEG8K, Ammonium phosphate, Imidazole-malate, DTT, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
