3GBD

Crystal structure of the isomaltulose synthase SmuA from Protaminobacter rubrum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-01
Detector	MAR CCD 165 mm
Wavelength(s)	0.9803
Spacegroup name	P 21 21 21
Unit cell lengths	61.630, 81.390, 135.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.890 - 1.950
R-factor	0.179
Rwork	0.179
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m53
RMSD bond length	0.013
RMSD bond angle	1.600
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.900	2.050
High resolution limit [Å]	1.950	1.950
Number of reflections	51963
<I/σ(I)>	13.2	4.7
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	0.2M tri-Li-citrate, 20% PEG3350, pH7, VAPOR DIFFUSION, SITTING DROP, temperature 290K