8K5J
The structure of SenA in complex with N,N,N-trimethyl-histidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-18 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 68.986, 96.355, 62.338 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.480 - 1.300 |
| R-factor | 0.12399 |
| Rwork | 0.122 |
| R-free | 0.15499 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.139 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.480 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.040 | 0.137 |
| Rmeas | 0.045 | |
| Rpim | 0.020 | |
| Number of reflections | 97669 | 8833 |
| <I/σ(I)> | 30.4 | 9.1 |
| Completeness [%] | 94.7 | 86.8 |
| Redundancy | 4.4 | 4.4 |
| CC(1/2) | 0.997 |
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 |
