2OWN

Crystal structure of oleoyl thioesterase (putative) (NP_784467.1) from Lactobacillus plantarum at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2007-01-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979224, 0.978748, 0.918381
Spacegroup name	P 61 2 2
Unit cell lengths	106.524, 106.524, 234.378
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	72.548 - 2.000
R-factor	0.206
Rwork	0.204
R-free	0.24200
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.877
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.548	78.090	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.110	0.032	0.691
Total number of observations		9962	46753
Number of reflections	53741
<I/σ(I)>	6.1	17.1	1
Completeness [%]	99.8	99.8	99.5
Redundancy	6	5.1	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	NANODROP, 1.6M (NH4)2SO4, 20.0% Glycerol, 0.1M Acetate pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K