6KU1
The structure of EanB/Y353A complex with ergothioneine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-02 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.720, 88.000, 90.570 |
| Unit cell angles | 90.00, 90.46, 90.00 |
Refinement procedure
| Resolution | 36.854 - 2.250 |
| R-factor | 0.172 |
| Rwork | 0.170 |
| R-free | 0.21420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ktx |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.320 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.129 | 1.020 |
| Number of reflections | 46803 | 4266 |
| <I/σ(I)> | 11.2 | 2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.9 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M MOPS/HEPES-Na pH7.5, 0.02 M of each alcohol, 12.5%PEG1000, 12.5%PEG3350, 12.5%MPD |
