3WNN

D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltooctaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	CCD
Collection date	2010-10-28
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	61.031, 171.256, 173.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.350 - 2.250
R-factor	0.20376
Rwork	0.202
R-free	0.24374
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wno
RMSD bond length	0.013
RMSD bond angle	1.618
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	35.350
High resolution limit [Å]	2.250
Number of reflections	87986
<I/σ(I)>	19.7
Completeness [%]	98.9
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.6M ammonium sulfate, 0.1M MES, 10%(v/v) 1,4-dioxane, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K