8J5M

Structure of GH1 Br2 beta-glucosidase E350G mutant from bovine rumen metagenome

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.975
Spacegroup name	P 21 21 21
Unit cell lengths	105.297, 113.605, 180.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.237 - 1.621
Rwork	0.161
R-free	0.18770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.381
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.720
High resolution limit [Å]	1.620	1.620
Rmeas	0.074	0.816
Number of reflections	271392	42595
<I/σ(I)>	13.18	1.96
Completeness [%]	99.2	97.1
Redundancy	4.9	4.8
CC(1/2)	0.999	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	277	0.1M sodium acetate trihydrate pH 7.4, 1.6M ammonium sulfate