3DZZ

CRYSTAL STRUCTURE OF A PUTATIVE PLP-DEPENDENT AMINOTRANSFERASE (LBUL_1103) FROM LACTOBACILLUS DELBRUECKII SUBSP. AT 1.61 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-16
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	C 1 2 1
Unit cell lengths	115.800, 94.800, 84.602
Unit cell angles	90.00, 127.13, 90.00

Refinement procedure

Resolution	38.778 - 1.610
R-factor	0.146
Rwork	0.144
R-free	0.17500
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.742
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.778	38.778	1.670
High resolution limit [Å]	1.610	3.460	1.610
Rmerge	0.070	0.042	0.605
Number of reflections	93024	9281	9731
<I/σ(I)>	9.47	19.2	2.32
Completeness [%]	98.5	95.7	99.6
Redundancy	3.71

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2M calcium acetate, 40.0% polyethylene glycol 300, 0.1M sodium cacodylate pH 6.5, Additive - 0.001M pyridoxal 5'-phosphate (PLP), NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K, NANODROP'