3WNK

Crystal Structure of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	95
Detector technology	CCD
Collection date	2007-05-23
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.97800, 0.97885, 0.97931, 0.98319, 0.96408
Spacegroup name	P 31 2 1
Unit cell lengths	106.437, 106.437, 160.625
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.340 - 2.300
R-factor	0.15938
Rwork	0.158
R-free	0.19203
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.235
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.340	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	47410
<I/σ(I)>	47.1	10.6
Completeness [%]	100.0	100
Redundancy	16.6	16.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.0M sodium acetate trihydrate, 0.1M HEPES, 0.05M cadmium sulfate hydrate, 12%(v/v) glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K