4KSO

Crystal Structure of Circadian clock protein KaiB from S.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]	113
Detector technology	CCD
Collection date	2012-12-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	69.821, 116.124, 53.228
Unit cell angles	90.00, 98.28, 90.00

Refinement procedure

Resolution	29.689 - 2.622
R-factor	0.2809
Rwork	0.279
R-free	0.31040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qke
RMSD bond length	0.004
RMSD bond angle	1.006
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.060	0.267
Number of reflections	12670
<I/σ(I)>	14.6	2.1
Completeness [%]	100.0	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.7	292	KaiB were grown from droplets containing 6.5 mg/mL KaiB-KaiC complex, 20 mM Tris (pH 7.8), 100 mM NaCl, 5 mM MgCl2,1 mM ATP and 2 mM BME. The reservoir solution was 100 mM sodium acetate, 500 mM sodium formate and 5% glycerol (v/v), VAPOR DIFFUSION, temperature 292K