3JU7

Crystal structure of Putative PLP-dependent aminotransferase (NP_978343.1) from Bacillus cereus ATCC 10987 at 2.19 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-21
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	82.388, 90.586, 131.699
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.721 - 2.190
R-factor	0.179
Rwork	0.176
R-free	0.22000
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.544
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.721	44.721	2.270
High resolution limit [Å]	2.190	4.700	2.190
Rmerge	0.136	0.078	0.704
Number of reflections	50328	5368	5010
<I/σ(I)>	7.83	16.6	2.2
Completeness [%]	97.7	97.6	97.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2000M calcium acetate, 40.0000% polyethylene glycol 300, 0.1M sodium cacodylate pH 6.5, ADDITIVE: 0.001 M PLP, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K