8TNE
Crystal structure of bacterial pectin methylesterase Pme8A from rumen Butyrivibrio
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95374 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 228.797, 49.272, 100.588 |
| Unit cell angles | 90.00, 101.03, 90.00 |
Refinement procedure
| Resolution | 48.170 - 2.300 |
| R-factor | 0.20245 |
| Rwork | 0.200 |
| R-free | 0.24950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.392 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.760 | 2.370 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.105 | 1.283 |
| Rmeas | 0.114 | 1.401 |
| Rpim | 0.044 | 0.552 |
| Total number of observations | 327785 | 19428 |
| Number of reflections | 48330 | 3213 |
| <I/σ(I)> | 8.8 | 1.2 |
| Completeness [%] | 97.3 | |
| Redundancy | 6.8 | 6 |
| CC(1/2) | 0.997 | 0.693 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M Sodium HEPES 7.5, 20 % w/v PEG 10,000 |
