5US6

Structure of Dihydrodipicolinate Reductase from Vibrio vulnificus Bound to NADH and 2,6 Pyridine Dicarboxylic Acid with Intact Polyhistidine Tag

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	111.906, 115.845, 148.127
Unit cell angles	90.00, 96.10, 90.00

Refinement procedure

Resolution	40.000 - 2.610
R-factor	0.22907
Rwork	0.228
R-free	0.25684
RMSD bond length	0.017
RMSD bond angle	1.754
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.086	0.051	0.642
Rmeas	0.103	0.062	0.760
Rpim	0.056	0.034	0.404
Total number of observations	326033
Number of reflections	106437
<I/σ(I)>	7
Completeness [%]	93.4	91.2	93
Redundancy	3.1	3	3.1
CC(1/2)		0.995	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	1.26 M ammonium sulfate, 0.1 M HEPES pH 7.5