3FHR
High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3 (MK3)-inhibitor 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 | 2008-10-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9769 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 84.688, 74.832, 60.664 |
Unit cell angles | 90.00, 107.34, 90.00 |
Refinement procedure
Resolution | 29.298 - 1.900 |
R-factor | 0.22809 |
Rwork | 0.226 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.581 |
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] | 31.430 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.051 | 0.451 |
Number of reflections | 27952 | |
<I/σ(I)> | 1.7 | |
Completeness [%] | 97.9 | 85 |
Redundancy | 3.37 | 2.54 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 296 | 10%-15% PEG 3350, 100mM BisTris propane/citric acid, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K |