4ARK
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MAP KINASE KINASE 1 (MEK1) IN COMPLEX WITH A SMALL MOLECULE INHIBITOR AND ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-24 |
| Detector | ADSC CCD |
| Spacegroup name | P 62 |
| Unit cell lengths | 82.411, 82.411, 130.238 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.800 - 2.600 |
| R-factor | 0.17395 |
| Rwork | 0.172 |
| R-free | 0.21135 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | PROTEIN CHAIN OF PDB ENTRY 1S9J |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.437 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC (5) |
| Refinement software | REFMAC (5.4.0062) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.100 | 0.760 |
| Number of reflections | 15320 | |
| <I/σ(I)> | 11.9 | 1.7 |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M IMIDAZOLE-MALATE, 300 MM(NH4)H2PO4, 13% PEG 8000, PH 5.8 |
