8J3M

Structure of GH1 Br2 beta-glucosidase 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)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	105.701, 113.873, 181.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.260 - 1.999
Rwork	0.233
R-free	0.26510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.965
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	XDS (Jan 10, 2022)
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.260	2.120
High resolution limit [Å]	1.999	1.999
Rmeas	0.083	0.821
Number of reflections	135781	23046
<I/σ(I)>	12.03	1.76
Completeness [%]	91.4	97.1
Redundancy	4.6	4.3
CC(1/2)	0.998	0.645

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