1JHQ
Three-dimensional Structure of CobT in Complex with Reaction Products of 5-methoxybenzimidazole and NaMN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 278 |
| Detector technology | AREA DETECTOR |
| Collection date | 2000-08-25 |
| Detector | SIEMENS HI-STAR |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 71.750, 89.970, 47.690 |
| 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 | 0.27900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1d0s |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.950 |
| 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 | 0.046 | 0.115 |
| Number of reflections | 20523 | |
| <I/σ(I)> | 12.8 | 3.7 |
| Completeness [%] | 88.9 | 67.8 |
| Redundancy | 3.2 | 1.6 |
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) |
