8Y9Q

b-glucosidase from Thermotoga profunda Tp-BGL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	CCD
Collection date	2023-11-04
Detector	MAR CCD 165 mm
Wavelength(s)	0.979183
Spacegroup name	P 41 21 2
Unit cell lengths	179.709, 179.709, 89.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.720 - 1.960
R-factor	0.1537
Rwork	0.153
R-free	0.17190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kdc
RMSD bond length	0.008
RMSD bond angle	0.958
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.850	2.030
High resolution limit [Å]	1.950	1.950
Rmerge	0.091	0.327
Rmeas	0.094	0.444
Rpim	0.021	0.297
Number of reflections	99543	4797
<I/σ(I)>	20.6	1.9
Completeness [%]	92.8	47.6
Redundancy	15.9	1.5
CC(1/2)	0.997	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.5 M Ammonium sulfate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 1.0 M Lithium sulfate monohydrate