2QHS

Structural Basis of Octanoic Acid Recognition by Lipoate-Protein Ligase B

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	110
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97925, 0.97942, 0.95000
Spacegroup name	P 41 21 2
Unit cell lengths	63.717, 63.717, 114.024
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.18701
Rwork	0.185
R-free	0.20823
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.209
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.500
Number of reflections	38216

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	50mM HEPES at pH 7.0, 4.0M lithium chloride, 5%(v/v) PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 298K