3MFS
CASK-4M CaM Kinase Domain, AMPPNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.006, 62.157, 97.899 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.100 |
R-factor | 0.22126 |
Rwork | 0.219 |
R-free | 0.26849 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c0i |
RMSD bond length | 0.011 |
RMSD bond angle | 1.209 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.460 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.057 | 0.664 |
Number of reflections | 22576 | |
<I/σ(I)> | 15.9 | 2.3 |
Completeness [%] | 97.7 | 97.4 |
Redundancy | 5.2 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | 12.5 % (v/v) ethylene glycol, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |