4I3W
Structure of phosphonoacetaldehyde dehydrogenase in complex with gylceraldehyde-3-phosphate and cofactor NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.450, 172.706, 139.776 |
| Unit cell angles | 90.00, 106.90, 90.00 |
Refinement procedure
| Resolution | 24.969 - 2.240 |
| R-factor | 0.2061 |
| Rwork | 0.204 |
| R-free | 0.24920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.290 |
| High resolution limit [Å] | 2.240 | 6.100 | 2.240 |
| Rmerge | 0.109 | 0.050 | 0.431 |
| Number of reflections | 198176 | ||
| <I/σ(I)> | 7.7 | ||
| Completeness [%] | 97.3 | 100 | 96.3 |
| Redundancy | 4.5 | 5.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | PEG3350, pH 6.5, vapor diffusion, hanging drop, temperature 290K |
