5XNE

X-ray Crystal Structure of alpha-acetolactate decarboxylase from Bacillus subtilis strain 168

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	93
Detector technology	CCD
Collection date	2016-09-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0001
Spacegroup name	P 31
Unit cell lengths	71.303, 71.303, 84.134
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.781 - 1.501
R-factor	0.1972
Rwork	0.196
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bt7
RMSD bond length	0.008
RMSD bond angle	1.117
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	49.781
High resolution limit [Å]	1.500
Number of reflections	123611
<I/σ(I)>	33.93
Completeness [%]	99.8
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		277	0.1M tris, pH8.5, 0.2M NaCl, 25% PEG 3350, 1% BOG