3KTD

CRYSTAL STRUCTURE OF A PUTATIVE PREPHENATE DEHYDROGENASE (CGL0226) FROM CORYNEBACTERIUM GLUTAMICUM ATCC 13032 AT 2.60 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97947,0.97883
Spacegroup name	P 21 21 21
Unit cell lengths	99.322, 107.230, 146.915
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.527 - 2.600
R-factor	0.215
Rwork	0.213
R-free	0.25400
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.119
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.527	29.530	2.670
High resolution limit [Å]	2.600	11.630	2.600
Rmerge	0.108	0.045	0.775
Total number of observations		2093	14957
Number of reflections	48978
<I/σ(I)>	11.6	9.5	1.9
Completeness [%]	99.9	94.2	100
Redundancy	4.1	3.5	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	10.0000% polyethylene glycol 6000, 1.0000M lithium chloride, 0.1M citric acid pH 4.0, Additive: 0.001 M Nicotinamide-adenine-dinucleotide (NAD), NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K