5NS6

Crystal structure of beta-glucosidase BglM-G1 from marine metagenome

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	2016-02-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00238
Spacegroup name	P 43
Unit cell lengths	138.020, 138.020, 97.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.797 - 1.500
R-factor	0.1513
Rwork	0.150
R-free	0.17200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1od0
RMSD bond length	0.006
RMSD bond angle	0.833
Data reduction software	XDS (30-Sep-2016)
Data scaling software	XSCALE (30-Sep-2016)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (dev_2621)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.797	48.797	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.140	0.034	2.382
Rmeas	0.145	0.036	2.474
Total number of observations	3976013
Number of reflections	292649	3397	21554
<I/σ(I)>	13.31	60.54	1.05
Completeness [%]	100.0	99.7	100
Redundancy	13.586	13.436	13.705
CC(1/2)	0.999	1.000	0.299

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	291	0.1M Na-HEPES, 2M AmmSO4, 2% PEG400