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 |