2E1N

Crystal structure of the Cyanobacterium circadian clock modifier Pex

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-01-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97931, 0.97820, 0.96408, 0.98319
Spacegroup name	P 21 21 21
Unit cell lengths	57.153, 61.539, 75.676
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.200 - 1.800
R-factor	0.19789
Rwork	0.196
R-free	0.23600
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.461
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.200	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.058	0.424
Number of reflections	24505
Completeness [%]	98.2	85.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	293	0.5-1.0M Li2SO4, 0.1M sodium acetate buffer (pH 3.8~4.6), 50mM magnesium acetate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	4.2	293	0.5-1.0M Li2SO4, 0.1M sodium acetate buffer (pH 3.8~4.6), 50mM magnesium acetate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	4.2	293	0.5-1.0M Li2SO4, 0.1M sodium acetate buffer (pH 3.8~4.6), 50mM magnesium acetate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K