1H4X

Structure of the Bacillus Cell Fate Determinant SpoIIAA in the Phosphorylated Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	51.119, 61.577, 65.892
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.610 - 1.160
R-factor	0.133 *
Rwork	0.133
R-free	0.16400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.025 *
RMSD bond angle	1.921 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.0.36)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.200
High resolution limit [Å]	1.160	1.160
Rmerge	0.068	0.300
Total number of observations	277544 *
Number of reflections	72227
<I/σ(I)>	18.9	3.72
Completeness [%]	97.9	85.4
Redundancy	3.8	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5 *	291 *	Seavers, P.R., (2001) Acta Crystallogr., D57, 292. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	drop		50 (mM)
4	1	drop	dithiothreitol	1 (mM)
5	1	reservoir	PEG4000	15 (%)
6	1	reservoir		200 (mM)
7	1	reservoir	Tris-HCl	100 (mM)