3WNM

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	CCD
Collection date	2010-06-05
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	171.576, 171.576, 61.299
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.350 - 2.250
R-factor	0.17377
Rwork	0.172
R-free	0.20454
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wnl
RMSD bond length	0.010
RMSD bond angle	1.320
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.350	2.290
High resolution limit [Å]	2.250	2.250
Number of reflections	44028
<I/σ(I)>	17.4	5.2
Completeness [%]	99.6	100
Redundancy	9.3	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	302	1.6M ammonium sulfate, 0.1M MES, 10%(v/v) 1,4-dioxane, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 302K