5WZN

Alpha-N-acetylgalactosaminidase NagBb from Bifidobacterium bifidum - GalNAc 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	2015-10-29
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	65.636, 127.620, 176.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.290 - 2.100
R-factor	0.19679
Rwork	0.194
R-free	0.24603
Structure solution method	SAD
RMSD bond length	0.024
RMSD bond angle	1.777
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.066	0.372
Number of reflections	87389
<I/σ(I)>	24.1	2.5
Completeness [%]	99.9	99.7
Redundancy	6	5.7
CC(1/2)		0.943

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