5XXL

Crystal structure of GH3 beta-glucosidase from Bacteroides thetaiotaomicron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-09
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	81.940, 167.880, 224.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.940 - 1.600
R-factor	0.20538
Rwork	0.204
R-free	0.22738
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u4a
RMSD bond length	0.008
RMSD bond angle	1.440
Data reduction software	iMOSFLM
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.940	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.136
Number of reflections	202194
<I/σ(I)>	10
Completeness [%]	99.9
Redundancy	6.8

Crystallization Conditions

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