4K4D

X-ray crystal structure of E. coli YbdB complexed with 2,4-dihydroxyphenacyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-12-28
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	59.664, 86.263, 50.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.400 - 2.170
R-factor	0.1961
Rwork	0.193
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vh9
RMSD bond length	0.008
RMSD bond angle	1.569
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall
Low resolution limit [Å]	20.400
High resolution limit [Å]	2.170
Number of reflections	14243

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	290	2.0 M SODIUM MALONATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K