3A10

Crystal structure of response regulator protein TrrA (TM1360) from Thermotoga maritima in complex with Mg(2+)-BeF (SeMet, L89M)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-14
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.9795,0.9797,0.9787
Spacegroup name	P 41 21 2
Unit cell lengths	32.678, 32.678, 199.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.630
R-factor	0.203
Rwork	0.200
R-free	0.25000
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.446
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]	50.000	1.690
High resolution limit [Å]	1.630	1.630
Number of reflections	14298
<I/σ(I)>	43.7	8.9
Completeness [%]	98.9	99.8
Redundancy	7.3	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.2	293	50% PEG200, 0.1M sodium/potassium-phosphate, 0.1M sodium chloride, pH 6.2, VAPOR DIFFUSION, temperature 293K