7DUP

Apo structure of wild type Bt4394, a GH20 family sulfoglycosidase

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	2019-12-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979183
Spacegroup name	P 1 21 1
Unit cell lengths	66.585, 63.001, 78.690
Unit cell angles	90.00, 111.34, 90.00

Refinement procedure

Resolution	73.290 - 1.620
Rwork	0.145
R-free	0.18850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rcn
RMSD bond length	0.006
RMSD bond angle	1.232
Data reduction software	XDS
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.290	1.650
High resolution limit [Å]	1.620	1.620
Rmerge	0.091	0.594
Number of reflections	76353	3495
<I/σ(I)>	12.6	2
Completeness [%]	99.0
Redundancy	5.9
CC(1/2)	0.997	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		282	PEG 10000, MES, Cl