4K4A

X-ray crystal structure of E. coli YdiI complexed with phenacyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-09
Detector	Bruker Platinum 135
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	97.689, 117.943, 48.193
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.610 - 1.890
R-factor	0.1691
Rwork	0.167
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sbk
RMSD bond length	0.007
RMSD bond angle	1.123
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]	44.610
High resolution limit [Å]	1.890
Number of reflections	42793

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