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 |