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