7WDU

6-sulfo-beta-D-N-acetylglucosaminidase from Bifidobacterium bifidum in complex with PUGNAc-6S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	77.404, 58.947, 84.353
Unit cell angles	90.00, 91.70, 90.00

Refinement procedure

Resolution	48.360 - 2.230
R-factor	0.2191
Rwork	0.218
R-free	0.23840
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.520
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]	49.310	2.300
High resolution limit [Å]	2.230	2.230
Rmerge	0.123	0.542
Rpim	0.079	0.353
Number of reflections	37545	3437
<I/σ(I)>	6.6	2.1
Completeness [%]	99.9
Redundancy	3.4
CC(1/2)	0.991	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	20% (w/v) PEG3000, 0.1 M sodium citrate pH 5.5, 1 mM PUGNAc-6S