1H4Z

Structure of the Anti-Sigma Factor Antagonist SpoIIAA in its Unphosphorylated Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Spacegroup name	P 65 2 2
Unit cell lengths	81.582, 81.582, 71.616
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.740
R-factor	0.25 *
Rwork	0.251
R-free	0.30500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h4x
RMSD bond length	0.020 *
RMSD bond angle	2.021 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.840
High resolution limit [Å]	2.740	2.740
Rmerge	0.072	0.342
Total number of observations	26991 *
Number of reflections	4022
<I/σ(I)>	23.5	5.3
Completeness [%]	99.8	99.7
Redundancy	6.7

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)