6H9A
Crystal structure of anaerobic ergothioneine biosynthesis enzyme from Chlorobium limicola in complex with natural substrate trimethyl histidine.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 76.550, 178.240, 43.266 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.935 - 2.831 |
R-factor | 0.1886 |
Rwork | 0.187 |
R-free | 0.21740 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.408 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.120 | 2.880 |
High resolution limit [Å] | 2.831 | 2.831 |
Number of reflections | 14808 | |
<I/σ(I)> | 6.2 | 2 |
Completeness [%] | 99.9 | |
Redundancy | 7.2 | |
CC(1/2) | 0.972 | 0.732 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | PEG 3350, lithium sulfate |