6WIU

Crystal structure of a beta-glucosidase from Exiguobacterium marinum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-18
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.459
Spacegroup name	P 1 21 1
Unit cell lengths	106.161, 171.897, 213.522
Unit cell angles	90.00, 95.71, 90.00

Refinement procedure

Resolution	32.709 - 3.511
R-factor	0.2647
Rwork	0.263
R-free	0.29210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dt5
RMSD bond length	0.004
RMSD bond angle	1.146
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.8.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.709	32.709	3.710
High resolution limit [Å]	3.500	10.280	3.500
Rmerge	0.406	0.050	1.994
Rmeas	0.454	0.056	2.221
Number of reflections	93391	3801	15361
<I/σ(I)>	3.95	26.83	0.82
Completeness [%]	99.7	97.2	99.5
Redundancy	4.975	4.997	5.108
CC(1/2)	0.982	0.997	0.438

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20 % (w/v) PEG 3350; 0.2 M sodium bromide; 0.1 M Bis tris propane pH 6.5