8TMS
Crystal structure of bacterial pectin methylesterase PmeC2 from rumen Butyrivibrio
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-31 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.95372 |
Spacegroup name | P 1 |
Unit cell lengths | 48.638, 76.282, 96.779 |
Unit cell angles | 98.36, 104.16, 90.05 |
Refinement procedure
Resolution | 47.170 - 2.300 |
R-factor | 0.20625 |
Rwork | 0.204 |
R-free | 0.24013 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.298 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.200 | 2.370 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.148 | 1.404 |
Rmeas | 0.173 | 1.639 |
Rpim | 0.089 | 0.842 |
Total number of observations | 16208 | |
Number of reflections | 56000 | 4465 |
<I/σ(I)> | 5.4 | 0.6 |
Completeness [%] | 95.1 | |
Redundancy | 3.7 | 3.6 |
CC(1/2) | 0.994 | 0.349 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5, 20 % w/v PEG 8000 |