4HA3

Structure of beta-glycosidase from Acidilobus saccharovorans in complex with Tris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	KURCHATOV SNC BEAMLINE K4.4
Synchrotron site	KURCHATOV SNC
Beamline	K4.4
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-01
Detector	MAR CCD 165 mm
Wavelength(s)	0.9779
Spacegroup name	P 42 21 2
Unit cell lengths	84.180, 84.180, 166.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.841 - 1.460
R-factor	0.14394
Rwork	0.143
R-free	0.15886
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gow
RMSD bond length	0.015
RMSD bond angle	1.531
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.841	1.550
High resolution limit [Å]	1.460	1.460
Rmerge	0.063	0.519
Number of reflections	102050
<I/σ(I)>	26.8	4.5
Completeness [%]	98.0	91.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Protein solution (1.5mcl): 15mg/ml Asbeta-Gly, 0.025M NaCl, 0.05M Tris (pH 8.0). Reservoir solution (1.5mcl): 0.04M cellobiose, 0.16M magnesium acetate, 0.08M sodium cacodylate (pH 6.5), 16% w/v polyethylene glycol 8000, 20% v/v glycerol., VAPOR DIFFUSION, HANGING DROP, temperature 293K