9MM2
Crystal structure of bacterial pectin methylesterase PmeC5 from B. fibrisolvens D1T
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 | 2023-07-12 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.953722 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.297, 61.950, 77.369 |
| Unit cell angles | 90.00, 105.39, 90.00 |
Refinement procedure
| Resolution | 41.780 - 1.330 |
| R-factor | 0.12068 |
| Rwork | 0.120 |
| R-free | 0.14014 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.899 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.660 | 1.350 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.049 | 0.301 |
| Rmeas | 0.053 | 0.326 |
| Rpim | 0.020 | 0.123 |
| Total number of observations | 624009 | 30348 |
| Number of reflections | 89955 | 4440 |
| <I/σ(I)> | 23.3 | 5.8 |
| Completeness [%] | 99.4 | |
| Redundancy | 6.9 | 6.8 |
| CC(1/2) | 1.000 | 0.958 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium chloride, 20 % w/v PEG 3350 |
