9MXD

Human E104A calmodulin:MLCK RM20 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-06
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92019
Spacegroup name	P 1 21 1
Unit cell lengths	28.930, 56.830, 44.810
Unit cell angles	90.00, 97.26, 90.00

Refinement procedure

Resolution	28.410 - 1.170
R-factor	0.1571
Rwork	0.156
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.194
Data reduction software	xia2
Data scaling software	Aimless (0.7.15)
Phasing software	REFMAC
Refinement software	PHENIX ((1.20.1_4487))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.420	1.200
High resolution limit [Å]	1.170	1.170
Rmerge	0.052	0.836
Rmeas	0.057	0.924
Rpim	0.022	0.386
Total number of observations	322105	18803
Number of reflections	48132	3391
<I/σ(I)>	14.3	1.8
Completeness [%]	99.2
Redundancy	6.7	5.5
CC(1/2)	0.999	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1M Sodium Acetate pH 4.6, 25%(w/v) PEG 4000, 20mM CaCl2