8AHS

Crystal structure of human Ca2+/Calmodulin in complex with melittin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97242
Spacegroup name	P 61 2 2
Unit cell lengths	40.770, 40.770, 350.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.310 - 2.480
R-factor	0.2673
Rwork	0.267
R-free	0.26960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sui
RMSD bond length	0.003
RMSD bond angle	0.723
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.310	2.750	2.550
High resolution limit [Å]	2.450	2.650	2.450
Rmeas	0.051	0.523	1.586
Number of reflections	7039	582	686
<I/σ(I)>	19.46	3.69	1.14
Completeness [%]	98.4		86.2
Redundancy	10.07
CC(1/2)	0.998	0.956	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	293	0.2M NaCl, 22w/v% PEG3350, 0.1M Bis-Tris, pH 5.4