3ALN
Crystal Structure of human non-phosphorylated MKK4 kinase domain complexed with AMP-PNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.508, 76.123, 173.126 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.000 - 2.300 |
| R-factor | 0.28919 |
| Rwork | 0.284 |
| R-free | 0.37788 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fme |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.862 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.560 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.090 | 0.532 |
| Number of reflections | 38603 | |
| <I/σ(I)> | 9.3 | 3.1 |
| Completeness [%] | 96.8 | 96.1 |
| Redundancy | 6.54 | 6.81 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M Imidazole-HCl pH6.5, 22% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
