4HA4

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

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)	0.9815
Spacegroup name	P 42 21 2
Unit cell lengths	84.120, 84.120, 166.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.827 - 1.370
R-factor	0.13213
Rwork	0.130
R-free	0.16333
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.559
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]	19.827	1.450
High resolution limit [Å]	1.370	1.370
Rmerge	0.063	0.810
Number of reflections	124046
<I/σ(I)>	17.2	2.1
Completeness [%]	98.8	96.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Protein solution (1.5mcl): 13mg/ml Asbeta-Gly, 0.025M NaCl, 0.025M Hepes (pH 7.5). Reservoir solution (1.5mcl): 1.0M succinic acid (pH 7.0), 0.1M Hepes (pH 7.0), 1% w/v polyethylene glycol monomethyl ether 2000. The crystal was soaked in a cryoprotection solution containing 20% v/v glycerol., VAPOR DIFFUSION, HANGING DROP, temperature 293K