4G86

Crystal structure of the redox-active cofactor DBMIB bound to the full length circadian clock protein KaiA from Synechococcus elongatus

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]	110
Detector technology	CCD
Collection date	2011-06-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 1 21 1
Unit cell lengths	47.247, 126.354, 56.383
Unit cell angles	90.00, 114.36, 90.00

Refinement procedure

Resolution	47.582 - 2.387
R-factor	0.221
Rwork	0.219
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.999
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.510	2.420
High resolution limit [Å]	2.380	2.470	2.380
Number of reflections	23630
Completeness [%]	97.9	98.4	68.5
Redundancy	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293.15	140-180mM Ammonium Sulfate reservoir solution, 20% Peg 8K, 15% glycerol, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K