8WFU

Crystal structure of beta-glucosidase from Thermoanaerobacterium saccharolyticum (Data 2)

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	2019-11-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	P 1
Unit cell lengths	63.213, 72.739, 97.385
Unit cell angles	92.48, 91.43, 95.22

Refinement procedure

Resolution	49.810 - 2.100
R-factor	0.1608
Rwork	0.160
R-free	0.20190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.670
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	90740	4342
<I/σ(I)>	9.02
Completeness [%]	90.9
Redundancy	3.7
CC(1/2)	0.977	0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Tris-HCl, PEG 4000, MgCl2