6S7J
Native crystal structure of ergothioneine degrading enzyme Ergothionase from Treponema denticola
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 | 2018-05-07 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 1 |
| Unit cell lengths | 76.906, 76.956, 177.567 |
| Unit cell angles | 78.09, 82.02, 79.78 |
Refinement procedure
| Resolution | 49.260 - 2.200 |
| R-factor | 0.2191 |
| Rwork | 0.217 |
| R-free | 0.26690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.941 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.0) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.260 | 49.260 | 2.240 |
| High resolution limit [Å] | 2.200 | 12.050 | 2.200 |
| Rmerge | 0.219 | 0.133 | 0.870 |
| Rmeas | 0.242 | 0.145 | 0.973 |
| Rpim | 0.100 | 0.057 | 0.422 |
| Total number of observations | 1055507 | 7668 | 43770 |
| Number of reflections | 190138 | 1187 | 8832 |
| <I/σ(I)> | 5.9 | 11.7 | 2.1 |
| Completeness [%] | 96.1 | 98 | 90.7 |
| Redundancy | 5.6 | 6.5 | 5 |
| CC(1/2) | 0.978 | 0.980 | 0.483 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293.5 | PEG 4000, PEG 200, CaCl2, Tris-HCl |
