5HU3
Drosophila CaMKII-D136N in complex with a phosphorylated fragment of the Eag potassium channel and Mg2+/ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.907, 59.217, 70.301 |
Unit cell angles | 90.00, 96.68, 90.00 |
Refinement procedure
Resolution | 30.075 - 1.885 |
R-factor | 0.1936 |
Rwork | 0.192 |
R-free | 0.22780 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.017 |
RMSD bond angle | 1.347 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | REFMAC |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.075 | 30.075 | 1.880 |
High resolution limit [Å] | 1.820 | 7.050 | 1.820 |
Rmerge | 0.014 | 0.572 | |
Rmeas | 0.041 | 0.017 | 0.736 |
Rpim | 0.022 | 0.009 | 0.455 |
Total number of observations | 87981 | 1271 | 5854 |
Number of reflections | 26540 | ||
<I/σ(I)> | 19.3 | 57.6 | 1.5 |
Completeness [%] | 97.9 | 81.7 | 91 |
Redundancy | 3.3 | 3.2 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293.15 | 19% PEG 4000, 0.1 M sodium citrate pH 5.0, 0.2 M ammonium acetate, 5 mM magnesium chloride, 0.8 mM ADP |