5NS7

Crystal structure of beta-glucosidase BglM-G1 mutant H75R 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	137.920, 137.920, 98.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.762 - 1.540
R-factor	0.1592
Rwork	0.159
R-free	0.17170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.955
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (dev_2621)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.762	48.762	1.580
High resolution limit [Å]	1.540	6.890	1.540
Rmerge	0.104	0.039	1.821
Rmeas	0.112	0.042	1.992
Total number of observations	1840750
Number of reflections	270326	3131	19952
<I/σ(I)>	11.28	42.62	0.89
Completeness [%]	99.9	99.6	99.7
Redundancy	6.809	7.333	6.157
CC(1/2)	0.998	0.998	0.315

Crystallization Conditions

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