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 |