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 |