5X1I
Vanillate/3-O-methylgallate O-demethylase, LigM, substrate free form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2015-12-18 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 102.004, 118.604, 128.838 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.422 - 1.900 |
| R-factor | 0.2081 |
| Rwork | 0.206 |
| R-free | 0.23740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.849 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.500 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 246850 | |
| <I/σ(I)> | 14.7 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Tris pH 8.0, 0.1M LiCl, 25%(w/v) PEG8000 |
