3WIG
Human MEK1 kinase in complex with CH5126766 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 | 2008-03-27 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 136.366, 136.366, 59.764 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.370 - 2.700 |
| R-factor | 0.217 |
| Rwork | 0.215 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.100 | 34.100 | 2.580 |
| High resolution limit [Å] | 2.450 | 7.750 | 2.450 |
| Rmeas | 0.112 | 1.419 | |
| Total number of observations | 6699 | 31335 | |
| Number of reflections | 45559 | ||
| <I/σ(I)> | 8.2 | 16.4 | 1.4 |
| Completeness [%] | 99.7 | 95.4 | 99.5 |
| Redundancy | 5.1 | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 277 | 7.5-10% PEG 8000, 0.2M NaCl, 0.2M Ammonium sulfate, 0.1M citrate buffer, pH 4.2, vapor diffusion, sitting drop, temperature 277K |
