7DVA

Structure of wild type Bt4394, a GH20 family sulfoglycosidase, in complex with 6S-GlcNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-04-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979191
Spacegroup name	P 1 21 1
Unit cell lengths	49.500, 125.596, 84.640
Unit cell angles	90.00, 90.63, 90.00

Refinement procedure

Resolution	50.483 - 1.550
Rwork	0.142
R-free	0.18440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rcn
RMSD bond length	0.005
RMSD bond angle	1.217
Data reduction software	XDS
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.190	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.097	1.005
Number of reflections	145268	7086
<I/σ(I)>	11.5	2
Completeness [%]	97.4
Redundancy	6.8
CC(1/2)	0.996	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		282	10 mM of 4MU-6S-GlcNAc with 10 mg/mL protein in the buffer of 25 mM PH 8.0, =300 mM NaCl was mixed with 0.1 M BICINE, pH 8.5, 20 % (w/v) PEG 10000 at 1:1 to carry on co-crystallization.