8BDP

A GH20 family sulfoglycosidase Bt4394 in complex with NAG-thiazoline and sulfite

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-14
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.979183
Spacegroup name	P 1 21 1
Unit cell lengths	66.832, 60.785, 74.223
Unit cell angles	90.00, 107.91, 90.00

Refinement procedure

Resolution	70.628 - 1.470
Rwork	0.130
R-free	0.18230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rcn
RMSD bond length	0.010
RMSD bond angle	1.559
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.630	1.500
High resolution limit [Å]	1.470	1.470
Number of reflections	91859	3088
<I/σ(I)>	7.8	1.1
Completeness [%]	95.4	65
Redundancy	1.9	1.9
CC(1/2)	0.997	0.624

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PROTEIN STOCK AT 45 MG/ML IN THE REMARK 280 BUFFER OF 50 MM NAPO4 AND 500 MM NACL IS MIXED WITH THE REMARK 280 PRECIPITANT OF 0.2 M KSCN, 21% PEG3350, 0.1 M BIS-TRIS PROPANE REMARK 280 PH 6.5, AT A RATIO OF 1.2: 1.