3A0U

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-08
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	32.978, 32.978, 196.968
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.660
R-factor	0.191
Rwork	0.189
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a10
RMSD bond length	0.015
RMSD bond angle	1.591
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.2.0019)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.720
High resolution limit [Å]	1.660	1.660
Number of reflections	13692
<I/σ(I)>	31.6	6.9
Completeness [%]	98.0	94
Redundancy	4.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9.5	293	40% PEG600, 0.1 M CHES, pH 9.5, VAPOR DIFFUSION, temperature 293K