9LPH

Neutron structure of GH1 beta-glucosidase Td2F2 ligand-free form at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	293
Detector technology	PIXEL
Collection date	2021-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	69.720, 71.030, 97.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.150 - 1.800
R-factor	0.1504
Rwork	0.149
R-free	0.17320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.003

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.300	1.860	1.210
High resolution limit [Å]	1.190	1.800	1.190
Rmerge	0.079	0.972	0.829
Rpim	0.033	0.410	0.347
Number of reflections	154133	4400	7472
<I/σ(I)>	11.4	1.7
Completeness [%]	99.6	98.3	98.6
Redundancy	6.6	6.3	6.4
CC(1/2)	0.998	0.466	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	Protein solution: protein 20mg/mL, 5mM Tris-DCl (pD 8.9), Reservoir solution: 0.1M CHES (pD 9.5), 0.912M K/Na tartrate, 5% (w/v) 1-butylpyridinium chloride, 0.2M Li2SO4 in heavy water
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	Protein solution: protein 20mg/mL, 5mM Tris-DCl (pD 8.9), Reservoir solution: 0.1M CHES (pD 9.5), 0.912M K/Na tartrate, 5% (w/v) 1-butylpyridinium chloride, 0.2M Li2SO4 in heavy water