4X8B
Ergothioneine-biosynthetic sulfoxide synthase EgtB, apo 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 | 2014-02-14 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 2.066 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 134.780, 134.780, 141.204 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.748 - 1.700 |
| R-factor | 0.1387 |
| Rwork | 0.138 |
| R-free | 0.15690 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.214 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.2.17) |
| Phasing software | SHELXDE |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.750 | 48.750 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.310 | 1.700 |
| Rmerge | 0.118 | 0.028 | 1.578 |
| Rpim | 0.023 | 0.006 | 0.306 |
| Total number of observations | 3781286 | 24060 | 191591 |
| Number of reflections | 142371 | ||
| <I/σ(I)> | 24.6 | 87.1 | 2.7 |
| Completeness [%] | 100.0 | 99.4 | 100 |
| Redundancy | 26.6 | 23.5 | 27.5 |
| CC(1/2) | 1.000 | 1.000 | 0.785 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Tris/HCl pH 7-7.5, 6-12% PEG 8000, 0.2 M magnesium chloride | |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Tris/HCl pH 7-7.5, 6-12% PEG 8000, 0.2 M magnesium chloride |
