1H6J
The three-dimensional structure of capsule-specific CMP:2-keto-3-deoxy-manno-octonic acid synthetase from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 297 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.090, 133.460, 48.330 |
| Unit cell angles | 90.00, 102.51, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.320 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.26600 |
| Structure solution method | MIR |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 25.000 |
| High resolution limit [Å] | 2.300 |
| Rmerge | 0.068 |
| Number of reflections | 22560 |
| <I/σ(I)> | 13 |
| Completeness [%] | 95.0 |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 9.4 | 20 * | pH 9.40 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG20000 | 16 (%) | |
| 2 | 1 | drop | Tris-HCl | 100 (mM) | |
| 3 | 1 | drop | cadmium acetate | 200 (mM) | |
| 4 | 1 | drop | 5 (mM) | ||
| 5 | 1 | drop | dithiothreitol | 2 (mM) | |
| 6 | 1 | reservoir | PEG20000 | 2-4 (%) |
