9GCI

The crystal structure of beta-glucosidase from the thermophilic bacterium Caldicellulosiruptor saccharolyticus determined at 1.47 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-11
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	68.443, 98.718, 80.493
Unit cell angles	90.00, 97.49, 90.00

Refinement procedure

Resolution	55.442 - 1.470
Rwork	0.153
R-free	0.17350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.289
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BALBES
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.860	1.500
High resolution limit [Å]	1.470	1.470
Rmeas	0.068	0.627
Rpim	0.060	0.574
Number of reflections	173397	8680
<I/σ(I)>	8.6	1.6
Completeness [%]	96.5	97.7
Redundancy	2.5	2.5
CC(1/2)	0.997	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	292.15	0.2 M magnesium chloride hexahydrate, 0.1M Bis-Tris, pH 5.5, 25% (w/v) PEG 3350