4JVT

Crystal structure of Tfu_1878, a putative enoyl-CoA hydratase fromThermobifida fusca YX in complex with CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 3
Unit cell lengths	106.888, 106.888, 106.888
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.670 - 1.650
R-factor	0.13747
Rwork	0.137
R-free	0.15375
Structure solution method	SAD
RMSD bond length	0.021
RMSD bond angle	2.099
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.670	1.693
High resolution limit [Å]	1.650	1.650
Rmerge	0.083
Number of reflections	46157
<I/σ(I)>	27.1
Completeness [%]	99.0	88.44
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	0.2 M Ammonium acetate, 0.1 M bis-Tris pH 5.5, 25 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K