6WGD

Crystal structure of a 6-phospho-beta-glucosidase from Bacillus licheniformis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	P 31 2 1
Unit cell lengths	98.272, 98.272, 285.734
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.425 - 2.200
R-factor	0.2117
Rwork	0.210
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ipl
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.140	49.140	2.240
High resolution limit [Å]	2.200	11.430	2.200
Rmerge	0.139	0.067	1.540
Rmeas	0.153	0.076	1.696
Rpim	0.065	0.033	0.704
Total number of observations	456034	3295	25655
Number of reflections	82240	697	4485
<I/σ(I)>	7.7	20.4	1.5
Completeness [%]	99.9	98.7	99.8
Redundancy	5.5	4.7	5.7
CC(1/2)	0.996	0.997	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	15% PEG4000, 0.1 M ammonium sulphate, and 0.1 M Tris, pH 7.0