6H99
Crystal structure of anaerobic ergothioneine biosynthesis enzyme from Chlorobium limicola in persulfide form.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-30 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 129.760, 43.183, 88.740 |
| Unit cell angles | 90.00, 108.46, 90.00 |
Refinement procedure
| Resolution | 43.542 - 1.600 |
| R-factor | 0.1643 |
| Rwork | 0.163 |
| R-free | 0.19460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | apo structure |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.032 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.542 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.091 | 0.633 |
| Rmeas | 0.099 | 0.706 |
| Rpim | 0.038 | 0.279 |
| Number of reflections | 61965 | 3057 |
| <I/σ(I)> | 11.3 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.7 | 6.1 |
| CC(1/2) | 0.992 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | PEG 8000, magnesium chloride, Tris buffer |
