3ALO
Crystal structure of human non-phosphorylated MKK4 kinase domain ternary complex with AMP-PNP and p38 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-27 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 68.776, 117.985, 81.793 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.20923 |
| Rwork | 0.206 |
| R-free | 0.27137 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3aln |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.774 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.850 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.127 | 0.384 |
| Number of reflections | 9816 | |
| <I/σ(I)> | 8.8 | 3.7 |
| Completeness [%] | 92.9 | 97.5 |
| Redundancy | 4.66 | 4.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M Iidazole-HCl pH6.5, 22% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
