7UZ1

Structure of beta-glycosidase from Sulfolobus solfataricus in complex with C5a-bromo-valienide.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 31 2 1
Unit cell lengths	168.088, 168.088, 95.548
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.301 - 1.580
Rwork	0.189
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uwr
RMSD bond length	0.013
RMSD bond angle	1.906
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.400	1.620
High resolution limit [Å]	1.580	1.580
Rmerge	0.025	0.805
Number of reflections	211061	10372
<I/σ(I)>	12.2	0.7
Completeness [%]	99.9	100
Redundancy	10.1
CC(1/2)	1.000	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	10 - 13 % PEG 4000, 0.1 M Sodium Acetate, 0.2M Ammonium Acetate, 5% ethylene glycol.