3GEK

Crystal structure of putative thioesterase yhdA from Lactococcus lactis. Northeast Structural Genomics Consortium Target KR113

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-18
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	59.948, 64.056, 144.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.180 - 2.240
R-factor	0.2253
Rwork	0.224
R-free	0.25548
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vh5
RMSD bond length	0.010
RMSD bond angle	1.065
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.320
High resolution limit [Å]	2.240	2.240
Rmerge	0.069	0.410
Number of reflections	51899
<I/σ(I)>	27.8	6.3
Completeness [%]	98.7	87.7
Redundancy	7.6	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	14% PEG 3350, 20% Ethylene glycol, 0.2M CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K