4NPC

Crystal Structure of an Oxidoreductase, Short-Chain Dehydrogenase/Reductase Family Protein from Brucella suis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 41 21 2
Unit cell lengths	87.740, 87.740, 117.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.750
R-factor	0.1506
Rwork	0.149
R-free	0.18710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4egf
RMSD bond length	0.013
RMSD bond angle	1.497
Data scaling software	XSCALE
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	70.190		1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.042	0.020	0.493
Number of reflections	46513	573	3393
<I/σ(I)>	29.71	71.42	4.06
Completeness [%]	99.6	92.7	99.9
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	MCSG1(f5): 0.2M Sodium Acetate, 20% PEG-3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K