5XXM

Crystal structure of GH3 beta-glucosidase from Bacteroides thetaiotaomicron in complex with gluconolactone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	81.820, 167.690, 224.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.700 - 1.700
R-factor	0.18259
Rwork	0.181
R-free	0.20775
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.296
Data reduction software	iMOSFLM
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.700	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.106
Number of reflections	158119
<I/σ(I)>	10.3
Completeness [%]	93.6
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 3350 Sodium acetate