7SHQ
Structure of a functional construct of eukaryotic elongation factor 2 kinase in complex with calmodulin.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 58.495, 58.495, 365.779 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.660 - 2.340 |
R-factor | 0.2304 |
Rwork | 0.229 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pdt 3lkm 4kuj 1ia9 6nx4 4ozs 3rjv |
RMSD bond length | 0.003 |
RMSD bond angle | 0.611 |
Data reduction software | autoPROC (1.0.5) |
Data scaling software | autoPROC (1.0.5) |
Phasing software | MR-Rosetta (1.19.2_4158) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 121.900 | 2.382 |
High resolution limit [Å] | 2.340 | 2.342 |
Rmerge | 0.362 | 1.778 |
Rmeas | 0.137 | 1.817 |
Rpim | 0.073 | 0.368 |
Number of reflections | 32010 | 1494 |
<I/σ(I)> | 14.5 | 2.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 25.9 | 24.5 |
CC(1/2) | 0.994 | 0.943 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.9 | 298.15 | Cocktail solution: Peg3350: 24% MgCl2: 300 mM BisTris pH 6.9: 100 mM Protein Solution: 11 mg/mL CaM-eEF2Kp1/1 Tris pH 7.5: 20 mM NaCl: 0.1 M CaCl2: 3mM TCEP: 1mM MgCl2: 1.5 mM AMPPNP: 1.0 mM Crystallization conditions: 1/1 Protein/Cocktail under Paraffin Oil in a Greiner 72-Well microbatch plate |