4DA2

The structure of Pyrococcus Furiosus SfsA in complex with Ca2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.975564
Spacegroup name	P 31
Unit cell lengths	46.017, 46.017, 194.575
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	196.190 - 1.800
R-factor	0.1379
Rwork	0.136
R-free	0.17160
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.374
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.800	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.080	0.450
Number of reflections	42809
Completeness [%]	100.0	100
Redundancy	6.1	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	290	30% (w/v) PEG 3350, 0.2 M calcium acetate, 0.01 M sodium acetate and 0.22 M potassium chloride pH 4.6, vapor diffusion, temperature 290K
1	VAPOR DIFFUSION	4.6	290	30% (w/v) PEG 3350, 0.2 M calcium acetate, 0.01 M sodium acetate and 0.22 M potassium chloride pH 4.6, vapor diffusion, temperature 290K