4FNT

Crystal structure of GH36 alpha-galactosidase AgaA A355E D548N from Geobacillus stearothermophilus in complex with raffinose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-11-17
Detector	PSI PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 32 2 1
Unit cell lengths	149.680, 149.680, 234.770
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.887 - 2.600
R-factor	0.1722
Rwork	0.170
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.742
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.670
High resolution limit [Å]	2.600	2.600
Rmerge		0.389
Number of reflections	92575
<I/σ(I)>	12.22	2.8
Completeness [%]	98.5	99.7
Redundancy	3.3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	289	20% polyethylene glycol 3350, 0.2M potassium acetate, pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 289K