3EQH
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with U0126, ADP and MG2P
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 76.610, 76.610, 222.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.000 - 2.000 |
| R-factor | 0.267 |
| Rwork | 0.188 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.077 | 0.039 | 0.407 |
| Number of reflections | 26994 | ||
| <I/σ(I)> | 9.9 | ||
| Completeness [%] | 99.1 | 97.4 | 93.2 |
| Redundancy | 5.9 | 5.1 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 281 | 0.1M TRIS-CL, pH 8.0; 18% PEG 4000; 0.2M CALCIUM CHLORIDE; 3% DMSO, VAPOR DIFFUSION HANGING DROP, temperature 281K |
