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 |
