1DXF
2-dehydro-3-deoxy-galactarate aldolase from Escherichia coli in complex with pyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 126.400, 126.400, 172.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.173 |
| Rwork | 0.173 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 22.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 2.600 | |
| Rmerge | 0.059 | 0.167 * |
| Total number of observations | 232660 * | |
| Number of reflections | 16162 * | |
| <I/σ(I)> | 14.2 | |
| Completeness [%] | 93.4 | 72.7 * |
| Redundancy | 14.4 |
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) |
