2AHU

Crystal structure of Acyl-CoA transferase (YdiF) apoenzyme from Escherichia coli O157:H7.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-12
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	81.129, 133.308, 105.838
Unit cell angles	90.00, 100.57, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.19026
Rwork	0.187
R-free	0.22044
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.143
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	163843
<I/σ(I)>	20.1	4.4
Completeness [%]	94.3	71.8
Redundancy	3	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	294	22.5 % (w/v) PEG 4000, 3% (v/v) isopropanol and 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, temperature 294K
1	VAPOR DIFFUSION	7.5	294	22.5 % (w/v) PEG 4000, 3% (v/v) isopropanol and 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, temperature 294K
1	VAPOR DIFFUSION	7.5	294	22.5 % (w/v) PEG 4000, 3% (v/v) isopropanol and 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, temperature 294K