3K09

Crystal structure of the phosphorylation-site mutant S431D of the KaiC circadian clock protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	113.15
Detector technology	CCD
Collection date	2008-03-17
Detector	MAR 225MM CCD
Spacegroup name	P 21 21 21
Unit cell lengths	132.500, 135.830, 204.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.200
R-factor	0.233
Rwork	0.233
R-free	0.29600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gbl
Data reduction software	HKL-2000
Data scaling software	XSCALE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.300
High resolution limit [Å]	3.200	3.200
Rmerge	0.090	0.520
Number of reflections	56167
<I/σ(I)>	16.8	4.4
Completeness [%]	91.5	86.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4	291	SODIUM FORMATE, GLYCEROL, pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 291K