3HG7

CRYSTAL STRUCTURE OF D-isomer specific 2-hydroxyacid dehydrogenase family protein from Aeromonas salmonicida subsp. salmonicida A449

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 43 21 2
Unit cell lengths	117.055, 117.055, 64.336
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.229
Rwork	0.228
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.507
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.2)
Refinement software	REFMAC (5.5.0070)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.820
High resolution limit [Å]	1.790	4.860	1.790
Rmerge	0.062	0.027	0.809
Number of reflections	78686
<I/σ(I)>	36.234
Completeness [%]	98.0	98.5	74.7
Redundancy	7.2	7.7	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2 M Li-sulfate, 0.1 M Tris, 25% PEG 3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K