6J3D

Crystal structure of acetolactate decarboxylase from Bacillus subtilis subspecies spizizenii in space group P21212

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-12
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00004
Spacegroup name	P 21 21 2
Unit cell lengths	87.276, 129.643, 45.721
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.700
R-factor	0.17242
Rwork	0.171
R-free	0.19137
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 4BT4
RMSD bond length	0.017
RMSD bond angle	1.578
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.070	0.389
Number of reflections	58087	2833
<I/σ(I)>	44.1	7.2
Completeness [%]	99.8	100
Redundancy	7	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	18% PEG 4000, 0.08M ammonium sulfate, 0.1M sodium acetate, pH 4.5, 12% glycerol