1L4K
Crystal Structure of CobT complexed with 3,4-dimethylaniline and nicotinate mononucleotide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 278 |
| Detector technology | AREA DETECTOR |
| Detector | SIEMENS HI-STAR |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 71.900, 90.030, 47.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 500.000 - 2.200 |
| Rwork | 0.168 |
| R-free | 0.20700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1d0s |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.330 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.260 | |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.034 | 0.054 |
| Number of reflections | 14982 | |
| <I/σ(I)> | 21.8 | 7.8 |
| Completeness [%] | 93.9 | 85.6 |
| Redundancy | 2.2 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | ammonium phosphate, pH 6.0, VAPOR DIFFUSION, HANGING DROP at 298K |
