3IOY

Structure of putative short-chain dehydrogenase (Saro_0793) from Novosphingobium aromaticivorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	51.683, 100.753, 63.463
Unit cell angles	90.00, 101.91, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.20248
Rwork	0.201
R-free	0.23346
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.432
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.091	0.078	0.475
Number of reflections	49623
<I/σ(I)>	13.3
Completeness [%]	99.7	98.2	99.1
Redundancy	7.2	7.7	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	2.4 M Sodium Malonate pH 7.5, Vapor diffusion, Sitting drop, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	2.4 M Sodium Malonate pH 7.5, Vapor diffusion, Sitting drop, temperature 298K