7F7R

Enterococcus faecalis GH31 alpha-N-acetylgalactosaminidase D455N in complex with Tn antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-14
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	82.706, 82.973, 148.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.040 - 1.630
Rwork	0.177
R-free	0.20040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m76
RMSD bond length	0.011
RMSD bond angle	1.629
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.720
High resolution limit [Å]	1.630	1.630
Rmerge	0.068	0.961
Rmeas	0.070
Rpim	0.019	0.287
Number of reflections	127951	18495
<I/σ(I)>	23.8	2.6
Completeness [%]	100.0	100
Redundancy	13.1	12.1
CC(1/2)	1.000	0.809

Crystallization Conditions

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