7ZRQ

1.68 Angstrom crystal structure of Ca/CaM-E140G: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	41.380, 54.520, 57.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.590 - 1.680
Rwork	0.205
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wel
RMSD bond length	0.008
RMSD bond angle	1.366
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0350)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.590	1.710
High resolution limit [Å]	1.680	1.680
Rmerge	0.048	2.042
Rmeas	0.057	2.522
Rpim	0.030	1.452
Number of reflections	15287	684
<I/σ(I)>	13.5	0.6
Completeness [%]	99.1	87.8
Redundancy	6.3	4.6
CC(1/2)	1.000	0.311

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.1 M Na+-HEPES, 0.1 M MOPS (acid), pH 7.5, 0.03 M magnesium chloride hexahydrate, 0.03 M calcium chloride dihydrate, 12.5% v/v MPD; 12.5% PEG 1000; 12.5% w/v PEG 3350