8K5K
The structure of SenA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-02 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 68.711, 95.841, 62.147 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.380 - 1.810 |
| R-factor | 0.17361 |
| Rwork | 0.171 |
| R-free | 0.22866 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.578 |
| 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] | 34.380 | 1.840 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.070 | 0.444 |
| Number of reflections | 37959 | 1745 |
| <I/σ(I)> | 15.33 | 2.11 |
| Completeness [%] | 99.4 | 96.6 |
| Redundancy | 7.08 | 4.47 |
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 |
