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 |