8DBA

Crystal structure of dodecameric KaiC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0001
Spacegroup name	P 1
Unit cell lengths	105.110, 136.090, 146.200
Unit cell angles	93.13, 94.43, 108.09

Refinement procedure

Resolution	48.100 - 3.500
R-factor	0.2365
Rwork	0.236
R-free	0.27930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tf7
RMSD bond length	0.002
RMSD bond angle	0.630
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.100	3.625
High resolution limit [Å]	3.500	3.500
Number of reflections	94643	9047
<I/σ(I)>	2.57	0.73
Completeness [%]	97.6
Redundancy	1.9
CC(1/2)	0.937	0.128

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M HEPES sodium pH 7.5, 0.2 M Magnesium chloride hexahydrate, 30% v/v PEG 400