6OF9

Structure of the Chlamydamonas reinhardtii CamKII hub homology domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.115830
Spacegroup name	P 41 21 2
Unit cell lengths	126.464, 126.464, 372.436
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.042 - 3.000
R-factor	0.2222
Rwork	0.221
R-free	0.25120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hkx
RMSD bond length	0.003
RMSD bond angle	0.643
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.040	49.040	3.080
High resolution limit [Å]	3.000	13.420	3.000
Rmerge	0.203	0.041	1.633
Rmeas	0.219	0.045	1.751
Rpim	0.110	0.022	0.628
Number of reflections	61612	821	4464
<I/σ(I)>	10	23.7	1.4
Completeness [%]	100.0	98.1	100
Redundancy	7.3	6.3	7.6
CC(1/2)	0.993	0.999	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.15 M DL-Malic acid (pH 7.0), 20% (w/v) polyethylene glycol 3350 precipitant. Protein 15 mg/ml in 16 mM tris, 96 mM KCl, 6.4 mM imidazole, 0.64 mM DTT, 6.4% glycerol pH 8.5