1H7E
The structure of CMP:2-keto-3-deoxy-manno-octonic acid synthetase and of its complexes with substrates and substrate analogues, Apo-enzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 297 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.100, 133.800, 48.480 |
| Unit cell angles | 90.00, 102.57, 90.00 |
Refinement procedure
| Resolution | 19.000 - 1.830 |
| R-factor | 0.161 |
| Rwork | 0.161 |
| R-free | 0.20900 |
| Structure solution method | MIR |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.500 |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.300 | |
| High resolution limit [Å] | 1.830 | 1.830 * |
| Rmerge | 0.071 | 0.490 * |
| Number of reflections | 45498 | 1909 * |
| Completeness [%] | 90.0 | 72 * |
| Redundancy | 3.1 | 3.0 * |
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 | protein | 8 (mg/ml) | |
| 2 | 1 | drop | PEG20000 | 8 (%(w/v)) | |
| 3 | 1 | drop | Tris-HCl | 50 (mM) | |
| 4 | 1 | drop | calcium acetate | 100 (mM) | |
| 5 | 1 | drop | 2.5 (mM) | ||
| 6 | 1 | drop | dithiothreitol | 1 (mM) | |
| 7 | 1 | reservoir | PEG20000 | 2-4 (%) |
