4I3T
Structure of phosphonoacetaldehyde dehydrogenase in the apo state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.720, 172.790, 142.580 |
| Unit cell angles | 90.00, 107.57, 90.00 |
Refinement procedure
| Resolution | 24.871 - 2.100 |
| R-factor | 0.1996 |
| Rwork | 0.198 |
| R-free | 0.23720 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.147 |
| Data scaling software | XSCALE |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 24.871 | 50.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 7.000 | 2.100 |
| Rmerge | 0.121 | 0.081 | 0.550 |
| Number of reflections | 246726 | 6881 | 29312 |
| <I/σ(I)> | 7.47 | 15.93 | 1.6 |
| Completeness [%] | 96.1 | 97.5 | 87.9 |
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 |
