8K5I
The structure of SenA in complex with N,N,N-trimethyl-histidine and thioglucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-12 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 68.641, 95.895, 61.846 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.200 - 1.920 |
| R-factor | 0.16758 |
| Rwork | 0.165 |
| R-free | 0.21434 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.539 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.200 | 1.950 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.079 | 0.269 |
| Number of reflections | 31836 | 1370 |
| <I/σ(I)> | 12.65 | 3.31 |
| Completeness [%] | 99.7 | 97.4 |
| Redundancy | 5.07 | 3.69 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 20% PEG 6000, 0.1 M Tris/HCl pH 8.0, 0.2 M ammonium chloride |
