3MVE

Crystal structure of a novel pyruvate decarboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-08
Detector	ADSC QUANTUM 270
Wavelength(s)	0.99999
Spacegroup name	P 1 21 1
Unit cell lengths	60.834, 88.201, 79.629
Unit cell angles	90.00, 106.62, 90.00

Refinement procedure

Resolution	48.630 - 2.200
R-factor	0.185
Rwork	0.185
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.180	2.180
Number of reflections	41404
Completeness [%]		84.4
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	micro bath	8.5	295	1.8M am-sulfate, 0.1M tris-HCl (pH 8.5), 0.2M na-acetate, micro bath, temperature 295K