7E5J

Crystal structure of beta-glucosidase from Thermoanaerobacterium saccharolyticum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	65.139, 71.293, 99.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.670 - 1.710
R-factor	0.1427
Rwork	0.141
R-free	0.18230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hz6
RMSD bond length	0.011
RMSD bond angle	1.543
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.135	0.423
Rpim	0.059
Number of reflections	50041	2429
<I/σ(I)>	16.5	2.38
Completeness [%]	98.4	97.1
Redundancy	5.4	4.1
CC(1/2)	0.979	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.5	Tris-HCl, PEG 3350, MgCl2