3T91

Structure of the Phosphatase Domain of the Cell Fate Determinant SpoIIE from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-19
Detector	ADSC QUANTUM 4
Wavelength(s)	0.93300
Spacegroup name	P 61 2 2
Unit cell lengths	87.618, 87.618, 321.597
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.640
R-factor	0.22306
Rwork	0.220
R-free	0.27891
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.335
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.640	2.600
Rmerge	0.065	0.890
Number of reflections	23618
<I/σ(I)>	30.4	1.2
Completeness [%]	99.9	98.3
Redundancy	7.3	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	12 - 15% PEG 4000, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K