3VP6

Structural characterization of Glutamic Acid Decarboxylase; insights into the mechanism of autoinactivation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-17
Detector	ADSC QUANTUM 210
Wavelength(s)	0.953638
Spacegroup name	P 1 21 1
Unit cell lengths	86.006, 64.084, 102.646
Unit cell angles	90.00, 108.14, 90.00

Refinement procedure

Resolution	24.250 - 2.100
R-factor	0.199
Rwork	0.197
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Refinement software	BUSTER-TNT ('BUSTER 2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	97.590	54.800	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge	0.079	0.027	0.443
Rmeas		0.033	0.519
Rpim		0.017	0.269
Total number of observations		6892	33248
Number of reflections	62211
<I/σ(I)>	12.4	34.4	2.7
Completeness [%]	99.9	98.4	100
Redundancy	3.7	3.4	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	25% PEG 3500, 100mM Bis-Tris, pH 6.0, vapor diffusion, hanging drop, temperature 298K