4BA0

Crystal Structure of Agd31B, alpha-transglucosylase, complexed with 5F-alpha-GlcF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Spacegroup name	P 6 2 2
Unit cell lengths	197.230, 197.230, 103.060
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.479 - 1.850
R-factor	0.1684
Rwork	0.167
R-free	0.19320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b9y
RMSD bond length	0.006
RMSD bond angle	1.072
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]	44.480	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.100	0.520
Number of reflections	100216
<I/σ(I)>	19.8	5.9
Completeness [%]	100.0	100
Redundancy	20.8

Crystallization Conditions

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