2FT0

Crystal structure of TDP-fucosamine acetyltransferase (WecD)- complex with acetyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1
Spacegroup name	P 43 21 2
Unit cell lengths	84.900, 84.900, 154.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.000 - 1.660
R-factor	0.20351
Rwork	0.202
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fs5
RMSD bond length	0.009
RMSD bond angle	1.298
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	39.000
High resolution limit [Å]	1.660
Number of reflections	65489
<I/σ(I)>	18
Completeness [%]	97.3
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	100 mM sodium acetate, 10 mM zinc sulfate, 2 mM acetyl-CoA, 5 mM TDP, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K