3ORN
Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-06 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9793 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 136.670, 136.670, 60.906 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.450 - 2.800 |
R-factor | 0.236 |
Rwork | 0.234 |
R-free | 0.27700 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 0.900 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | CNX (2005) |
Refinement software | CNX (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.440 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 16356 | |
<I/σ(I)> | 1.5 | 1.5 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 11 | 11.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 2M Ammonium sulfate, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |