6H98
Native crystal structure of anaerobic ergothioneine biosynthesis enzyme from Chlorobium limicola.
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 | 129.380, 43.222, 89.069 |
| Unit cell angles | 90.00, 108.50, 90.00 |
Refinement procedure
| Resolution | 43.505 - 1.800 |
| R-factor | 0.1666 |
| Rwork | 0.165 |
| R-free | 0.20440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.587 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.400 | 1.840 |
| High resolution limit [Å] | 1.580 | 1.800 |
| Rmerge | 0.106 | 0.664 |
| Rmeas | 0.128 | 0.824 |
| Rpim | 0.070 | 0.353 |
| Number of reflections | 43583 | 43583 |
| <I/σ(I)> | 11.3 | 2.2 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 6.1 | |
| CC(1/2) | 0.997 | 0.587 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | PEG 3350, magnesium formate dehydrate |
