1L4G
Crystal Structure of CobT complexed with 4-methylcatechol 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 | 71.720, 89.970, 47.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 500.000 - 2.100 |
| Rwork | 0.186 |
| R-free | 0.22600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1d0s |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.210 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.160 | |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.043 | 0.122 |
| Number of reflections | 15494 | |
| <I/σ(I)> | 11.2 | 3.3 |
| Completeness [%] | 89.0 | 68.3 |
| Redundancy | 1.9 | 1.1 |
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 |
