7F7Q
Enterococcus faecalis GH31 alpha-N-acetylgalactosaminidase D455A in complex with p-nitrophenyl alpha-N-acetylgalactosaminide
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 | 81.875, 83.394, 146.329 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.139 - 1.420 |
Rwork | 0.174 |
R-free | 0.19630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6m76 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.726 |
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 | 1.500 |
High resolution limit [Å] | 1.420 | 1.420 |
Rmerge | 0.067 | 1.044 |
Rmeas | 0.069 | |
Rpim | 0.019 | 0.290 |
Number of reflections | 184729 | 25867 |
<I/σ(I)> | 24.5 | 2.7 |
Completeness [%] | 98.0 | 94.7 |
Redundancy | 13.3 | 13.5 |
CC(1/2) | 1.000 | 0.766 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG3350, 0.2 M ammonium citrate |