5K8Q

Crystal Structure of Calcium-loaded Calmodulin in complex with STRA6 CaMBP2-site peptide.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97919
Spacegroup name	C 1 2 1
Unit cell lengths	156.510, 37.230, 35.730
Unit cell angles	90.00, 94.35, 90.00

Refinement procedure

Resolution	25.368 - 1.739
R-factor	0.2291
Rwork	0.227
R-free	0.26730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IZUZ
RMSD bond length	0.016
RMSD bond angle	0.869
Data reduction software	iMOSFLM (7.2.1)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10-2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.370	1.801
High resolution limit [Å]	1.739	1.739
Rmerge	0.095	0.658
Number of reflections	21134
<I/σ(I)>	6.7	1.2
Completeness [%]	98.8	97.8
Redundancy	3.2	2.6
CC(1/2)	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	281	0.1M Imidazole pH 5.5, 28%(v/v) PEGMME 550