9M5Y

the crystal structure of the Ca2+/CaM-CASK-CaMK complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	61.010, 80.137, 110.578
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.480 - 1.800
R-factor	0.1682
Rwork	0.167
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3coi
RMSD bond length	0.016
RMSD bond angle	1.279
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	50795	2593
<I/σ(I)>	4.4
Completeness [%]	99.7	98
Redundancy	5.8
CC(1/2)	0.993	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	298	0.1 M Sodium citrate tribasic dihydrate, pH 5.0, 10% (v/v) PEG 6000.