1RQN
Phosphonoacetaldehyde hydrolase complexed with magnesium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Detector technology | AREA DETECTOR |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 210.130, 45.180, 63.640 |
| Unit cell angles | 90.00, 105.10, 90.00 |
Refinement procedure
| Resolution | 45.340 - 2.800 |
| R-factor | 0.246 |
| Rwork | 0.246 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.340 | 2.980 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 13003 | |
| Completeness [%] | 85.0 | 57.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 298 | PEG 4000, Tris-HCl, magnesium chloride, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K, pH 7.40 |
