9W4B

Crystal structure of beta-glucosidase CaBGL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97919
Spacegroup name	P 21 21 21
Unit cell lengths	138.840, 221.660, 236.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.740 - 2.340
R-factor	0.1904
Rwork	0.188
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.892
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.940	2.400
High resolution limit [Å]	2.340	2.340
Rmerge	0.157	2.101
Rmeas	0.163	2.179
Rpim	0.044	0.576
Total number of observations	4109188	313827
Number of reflections	304606	22353
<I/σ(I)>	12.8	1.9
Completeness [%]	99.8
Redundancy	13.5	14
CC(1/2)	0.998	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	0.1M Bis-Tris, pH 6.5, 2.0 M Ammonium sulfate