5X1L
Vanillate/3-O-methylgallate O-demethylase, LigM, tetrahydrofolate complex form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2015-08-07 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 102.773, 117.888, 129.726 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.775 - 1.900 |
| R-factor | 0.2011 |
| Rwork | 0.199 |
| R-free | 0.23610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5x1i |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.858 |
| 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] | 47.775 | 1.900 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 248994 | |
| <I/σ(I)> | 12.2 | 1.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Tris pH 8.5, 0.1M LiCl, 30%(w/v) PEG8000 |
