7PSZ

Crystal structure of CaM in complex with CDZ (form 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	C 1 2 1
Unit cell lengths	66.848, 36.127, 68.382
Unit cell angles	90.00, 116.74, 90.00

Refinement procedure

Resolution	33.390 - 1.898
R-factor	0.2241
Rwork	0.223
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ctr
RMSD bond length	0.008
RMSD bond angle	0.830
Data reduction software	AutoProcess
Data scaling software	AutoProcess
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.392	1.930
High resolution limit [Å]	1.898	1.898
Rmerge	0.063	0.899
Rmeas	0.068	0.969
Rpim	0.026	0.359
Number of reflections	11459	555
<I/σ(I)>	15.6	2.3
Completeness [%]	97.6	97
Redundancy	6.8	7.2
CC(1/2)	0.997	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	30 %w/v PEG 8K and 0.2 M (NH4)2SO4