4YSJ
Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-16 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.536, 108.415, 109.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.570 - 2.700 |
R-factor | 0.2486 |
Rwork | 0.246 |
R-free | 0.29170 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.563 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.570 | 38.570 | 2.820 |
High resolution limit [Å] | 2.680 | 8.910 | 2.680 |
Rmerge | 0.363 | 0.065 | 3.451 |
Rpim | 0.103 | 0.020 | 1.048 |
Total number of observations | 417423 | 11540 | 45546 |
Number of reflections | 31660 | ||
<I/σ(I)> | 6.6 | 19.6 | 0.9 |
Completeness [%] | 99.3 | 98.8 | 95.2 |
Redundancy | 13.2 | 11.8 | 11.4 |
CC(1/2) | 0.994 | 0.999 | 0.518 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | protein buffer: 25 mM HEPES pH 7.0, 5% glycerol, 500 mM NaCl, 2 mM DTT, 175 ??M EtCDPK1, 17.5 mM MgATP; crystallization buffer: 100 mM BIS/TRIS pH 6.5, 25% PEG 3350, 20 mM CaCl2 |