3BJR

Crystal structure of a putative carboxylesterase (lp_1002) from lactobacillus plantarum wcfs1 at 2.09 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.91840, 0.97939, 0.97953
Spacegroup name	P 32 2 1
Unit cell lengths	93.620, 93.620, 99.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.285 - 2.090
R-factor	0.176
Rwork	0.175
R-free	0.19200
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.739
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.285	29.285	2.160
High resolution limit [Å]	2.090	4.490	2.090
Rmerge	0.084	0.042	0.610
Number of reflections	29521	5795	4554
<I/σ(I)>	8.84	20.5	2.2
Completeness [%]	97.0	98.7	83.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	NANODROP, 0.8M (NH4)2SO4, 0.1M Bicine pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K