5WAB

Crystal Structure of Bifidobacterium adolescentis GH3 beta-glucosidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-12-05
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	94.610, 96.430, 106.770
Unit cell angles	87.76, 89.11, 61.00

Refinement procedure

Resolution	44.511 - 2.450
R-factor	0.1969
Rwork	0.195
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x40
RMSD bond length	0.004
RMSD bond angle	0.674
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.400	2.538
High resolution limit [Å]	2.450	2.450
Rmerge	0.118	0.594
Rpim	0.118	0.594
Number of reflections	103722	8470
<I/σ(I)>	10.5	1.9
Completeness [%]	85.5	69.65
Redundancy	4	3.6
CC(1/2)		0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	0.1 M HEPES pH 8.5, 0.2 M sodium chloride, 29% PEG 3350, 3% glycerol