1DXE
2-dehydro-3-deoxy-galactarate aldolase from Escherichia coli
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Wavelength(s) | 0.8855, 0.9783, 0.9785 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 129.070, 129.070, 167.960 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.171 |
| Rwork | 0.171 |
| R-free | 0.19400 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 23.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (0.9) |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 1.820 | |
| Rmerge | 0.049 | 0.336 * |
| Total number of observations | 1386204 * | |
| Number of reflections | 47695 * | |
| <I/σ(I)> | 83.3 | |
| Completeness [%] | 99.7 | 99.4 * |
| Redundancy | 29.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5 | Blackwell, N.C., (1999) Acta Crystallogr., D55, 1368. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | potassium phosphate | 20 (mM) | |
| 2 | 1 | drop | magnesium sulfate | 5 (mM) | |
| 3 | 1 | drop | enzyme | 7 (mg/ml) | |
| 4 | 1 | reservoir | PEG3000 | 4 (%) | |
| 5 | 1 | reservoir | potassium phosphate | 0.2 (M) |
