2C45

NATIVE PRECURSOR OF PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Collection date	2004-02-14
Detector	ADSC CCD
Spacegroup name	P 31
Unit cell lengths	150.100, 150.100, 60.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	7.990 - 2.990
R-factor	0.265
Rwork	0.265
R-free	0.30800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ppy
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.100
High resolution limit [Å]	2.990	2.990
Rmerge	0.120
Number of reflections	30363
Completeness [%]	99.6	96
Redundancy	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	SODIUM CACODYLATE (PH 6.5), 1.5 M MAGNESIUM SULPHATE AND 20% PEG2000, HANGING DROP, TEMPERATURE 292K