6M7H

Structure of calmodulin with KN93

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-08
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 61 2 2
Unit cell lengths	40.511, 40.511, 348.785
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.084 - 1.600
R-factor	0.2311
Rwork	0.228
R-free	0.26660
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.981
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.800	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.092	0.505
Number of reflections	50207	2264
<I/σ(I)>	18	4
Completeness [%]	99.8	98.8
Redundancy	15.4	13.1
CC(1/2)	0.999	0.929

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	bis tris ph 6.5, peg 3350