3DFU

CRYSTAL STRUCTURE OF A PUTATIVE ROSSMANN-LIKE DEHYDROGENASE (CGL2689) FROM CORYNEBACTERIUM GLUTAMICUM AT 2.07 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	2008-05-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97960,0.97905
Spacegroup name	P 21 21 2
Unit cell lengths	155.790, 47.070, 63.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.951 - 2.070
R-factor	0.193
Rwork	0.191
R-free	0.22300
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.525
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.951		2.140
High resolution limit [Å]	2.070	4.440	2.070
Rmerge	0.047	0.018	0.433
Number of reflections	29174	5433	5190
<I/σ(I)>	12.28	34	2.2
Completeness [%]	98.7	97	98.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	20.0% polyethylene glycol 6000, 1.0M lithium chloride, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K