4K4B

X-ray crystal structure of E. coli YdiI complexed with undeca-2-one-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-09
Detector	Bruker Platinum 135
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	57.970, 68.577, 81.144
Unit cell angles	78.93, 84.69, 76.46

Refinement procedure

Resolution	33.886 - 1.900
R-factor	0.1714
Rwork	0.169
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sbk
RMSD bond length	0.008
RMSD bond angle	1.308
Data reduction software	PROTEUM PLUS (PLUS)
Data scaling software	PROTEUM PLUS (PLUS)
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall
Low resolution limit [Å]	33.886
High resolution limit [Å]	1.900
Number of reflections	87554
Redundancy	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	0.18 M MAGNESIUM ACETATE, 0.07-0.08 M SODIUM CACODYLATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K