3FXW
High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3/inhibitor 2 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9796 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.294, 75.555, 61.731 |
| Unit cell angles | 90.00, 108.91, 90.00 |
Refinement procedure
| Resolution | 27.580 - 2.000 |
| R-factor | 0.23505 |
| Rwork | 0.233 |
| R-free | 0.27664 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fhr |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.587 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.430 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.056 | 0.335 |
| Number of reflections | 24547 | |
| <I/σ(I)> | 8.4 | 2.2 |
| Redundancy | 2.44 | 2.51 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 296 | 10-21% PEG 3350, 0.1M BisTris-propane/citric acid, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
