5X1N
Vanillate/3-O-methylgallate O-demethylase, LigM, protocatechuate-tetrahydrofolate complex form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2015-12-19 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 115.464, 115.464, 225.195 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.058 - 2.000 |
| R-factor | 0.2145 |
| Rwork | 0.213 |
| R-free | 0.23950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x1i |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.829 |
| 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] | 49.060 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 235738 | 5787 |
| <I/σ(I)> | 22.8 | 2.9 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 19.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Tris pH 8.5, 0.1M LiCl, 30% PEG8000, 5mM THF |
