2ZY2

dodecameric L-aspartate beta-decarboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-02
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	F 4 3 2
Unit cell lengths	298.900, 298.900, 298.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.300
R-factor	0.231
Rwork	0.228
R-free	0.29300
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.876
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.420
High resolution limit [Å]	3.300	3.300
Rmerge	0.099	0.593
Number of reflections	17608
<I/σ(I)>	23.4	3.3
Completeness [%]	99.7	98.7
Redundancy	10.8	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	40% PEG 400, 0.1M lithium sulfate, 0.1M Tris-HCl (pH 8.5), VAPOR DIFFUSION, SITTING DROP, temperature 298.0K
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	40% PEG 400, 0.1M lithium sulfate, 0.1M Tris-HCl (pH 8.5), VAPOR DIFFUSION, SITTING DROP, temperature 298.0K
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	40% PEG 400, 0.1M lithium sulfate, 0.1M Tris-HCl (pH 8.5), VAPOR DIFFUSION, SITTING DROP, temperature 298.0K