9MVW

Crystal structure of S101F calmodulin - CaM:RM20 analog complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-02
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.873128
Spacegroup name	P 21 21 21
Unit cell lengths	29.580, 57.171, 97.831
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.360 - 1.580
R-factor	0.2151
Rwork	0.213
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.967
Data reduction software	autoPROC (1.0.5)
Data scaling software	Aimless (0.8.2)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.360	1.660
High resolution limit [Å]	1.580	1.580
Rmerge	0.091	1.228
Rmeas	0.095	1.275
Rpim	0.026	0.340
Number of reflections	22241	3383
<I/σ(I)>	14.9	1.8
Completeness [%]	93.8	100
Redundancy	13.2	13.9
CC(1/2)	0.999	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	295	0.1M Sodium Acetate pH 4.6, 25%(w/v) PEG 4000, 20mM CaCl2