4B9Z

Crystal Structure of Agd31B, alpha-transglucosylase, complexed with Acarbose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 6 2 2
Unit cell lengths	196.880, 196.880, 102.760
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.734 - 2.000
R-factor	0.162
Rwork	0.161
R-free	0.18740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b9y
RMSD bond length	0.007
RMSD bond angle	1.094
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.380	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.110	0.460
Number of reflections	79078
<I/σ(I)>	22.2	7.4
Completeness [%]	100.0	100
Redundancy	21.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				1.8 M AMMONIUM SULFATE, 0.1 M HEPES (PH7.0), 2% PEG400