7ZRP

2.65 Angstrom crystal structure of Ca/CaM:CaMKIIdelta peptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	64.283, 72.590, 78.156
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.244 - 2.650
Rwork	0.207
R-free	0.27240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wel
RMSD bond length	0.009
RMSD bond angle	1.288
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0350)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.250	2.780
High resolution limit [Å]	2.650	2.650
Rmerge	0.154	1.921
Rmeas	0.185	2.300
Rpim	0.102	1.249
Number of reflections	11133	1442
<I/σ(I)>	5.9
Completeness [%]	100.0
Redundancy	5.8	6.1
CC(1/2)	0.996	0.576

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	200 mM Zinc acetate, 100 mM Imidazole pH8.0, 18% PEG3000