6M77

GH31 alpha-N-acetylgalactosaminidase from Enterococcus faecalis in complex with N-acetylgalactosamine

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	2020-03-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	82.596, 83.233, 147.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.091 - 1.900
Rwork	0.217
R-free	0.26110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m76
RMSD bond length	0.010
RMSD bond angle	1.682
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.077	0.448
Number of reflections	80809	11575
<I/σ(I)>	13.8	3.6
Completeness [%]	99.8	99.4
Redundancy	6
CC(1/2)	0.998	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25% PEG3350, 0.2 M ammonium citrate, 5 mM N-acetylgalactosamine