1L4F
The crystal structure of CobT complexed with 4,5-dimethyl-1,2-phenylenediamine 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 | 72.020, 90.080, 47.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 500.000 - 2.100 |
Rwork | 0.181 |
R-free | 0.22100 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1d0s |
RMSD bond length | 0.006 |
RMSD bond angle | 1.170 |
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 | 0.047 | 0.134 |
Number of reflections | 15485 | |
<I/σ(I)> | 10.8 | 3.1 |
Completeness [%] | 93.9 | 85.4 |
Redundancy | 2 | 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 |