5NIN

Crystal Structure of AKAP79 calmodulin binding domain peptide in complex with Ca2+/Calmodulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9685
Spacegroup name	P 42 21 2
Unit cell lengths	76.460, 76.460, 128.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.065 - 1.700
R-factor	0.1659
Rwork	0.164
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1IWQ (85-148)
RMSD bond length	0.009
RMSD bond angle	0.904
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.770	1.730
High resolution limit [Å]	1.700	1.700
Rpim	0.063	0.354
Number of reflections	42359	2193
<I/σ(I)>	10.1	3.1
Completeness [%]	99.1	99.6
Redundancy	7.4	7.5
CC(1/2)	0.990	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	287	2.4 M ammonium sulphate, 50 mM citrate pH 5.4, 0.3 M NDSB-195