1JHA
Structural Investigation of the Biosynthesis of Alternative Lower Ligands for Cobamides by Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase (CobT) from Salmonella enterica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 278 |
| Detector technology | AREA DETECTOR |
| Collection date | 2000-11-10 |
| Detector | SIEMENS HI-STAR |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 71.640, 89.920, 47.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.178 * |
| Rwork | 0.178 |
| R-free | 0.27500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1dos |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.780 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | TNT |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.051 | 0.132 |
| Number of reflections | 20370 | |
| <I/σ(I)> | 11.4 | 3.3 |
| Completeness [%] | 89.0 * | 68.8 * |
| Redundancy | 3.1 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | Ammonium Phosphate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | reservoir | ammonium phosphate | 1.4 (M) |
