7PU9

Crystal structure of CaM in complex with CDZ (form 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8266
Spacegroup name	P 61 2 2
Unit cell lengths	39.351, 39.351, 336.920
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.150 - 2.279
R-factor	0.2358
Rwork	0.234
R-free	0.26630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ctr
RMSD bond length	0.008
RMSD bond angle	0.880
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]	56.153	2.318
High resolution limit [Å]	2.279	2.279
Rmerge	0.156	2.112
Rmeas	0.159	2.139
Rpim	0.027	0.334
Number of reflections	8009	395
<I/σ(I)>	14.9	2.2
Completeness [%]	100.0	100
Redundancy	34.8
CC(1/2)	1.000	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	0.2 M CaCl2, 0.1 M Tris pH 8.5 and 25 %w/v PEG 4K