3SFT

Crystal structure of Thermotoga maritima CheB methylesterase catalytic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2004-01-23
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	52.467, 65.075, 78.353
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.150
Rwork	0.203
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1chd
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.150
Number of reflections	13555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.2M ammonium sulfate, 0.1M cacodylate, 30%(w/v) PEG 8K, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K