3L6E

Crystal structure of putative short chain dehydrogenase/reductase family oxidoreductase from Aeromonas hydrophila subsp. hydrophila ATCC 7966

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	2009-11-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 21 21 2
Unit cell lengths	127.363, 53.005, 67.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.22144
Rwork	0.219
R-free	0.27039
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.272
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.089	0.050	0.882
Number of reflections	20368
<I/σ(I)>	5.2
Completeness [%]	91.4	99.8	76.6
Redundancy	3.9	4.2	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	100mM Bis-Tris pH 6.5, 25% PEG 3350, 200mM Lithium Sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K