5WZR

Alpha-N-acetylgalactosaminidase NagBb from Bifidobacterium bifidum - Gal-NHAc-DNJ complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-05
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.1000
Spacegroup name	P 21 21 21
Unit cell lengths	64.628, 128.478, 176.885
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	103.950 - 2.790
R-factor	0.23315
Rwork	0.229
R-free	0.31325
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.461
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.950	2.850
High resolution limit [Å]	2.790	2.790
Rmerge	0.057	0.518
Number of reflections	37110
<I/σ(I)>	19.6	2.4
Completeness [%]	99.7	100
Redundancy	6.3	6.7
CC(1/2)		0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.02M MgCl2, 0.1M HEPES-NaOH, 7.5% PEG 3350