9JLZ

High resolution crystal structure of GH1 beta-glucosidase from soil metagenome (UnBGl1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2024-02-21
Detector	RAYONIX MX-225
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	51.840, 65.990, 138.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.100 - 1.150
R-factor	0.1269
Rwork	0.126
R-free	0.14652
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.847
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.250
High resolution limit [Å]	1.150	1.150
Number of reflections	167030	35537
<I/σ(I)>	13.61	3.17
Completeness [%]	99.1
Redundancy	6.95
CC(1/2)	0.999	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.2	295	0.056M Sodium phosphate monobasic monohydrate, 1.344M Potassium phosphate dibasic, pH 8.2