1SWV
Crystal structure of the D12A mutant of phosphonoacetaldehyde hydrolase complexed with magnesium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-11-27 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.503, 62.553, 73.759 |
| Unit cell angles | 90.00, 108.76, 90.00 |
Refinement procedure
| Resolution | 61.080 - 2.300 |
| R-factor | 0.216 |
| Rwork | 0.216 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fez |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| 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] | 61.080 | 2.380 |
| High resolution limit [Å] | 1.990 | 2.300 |
| Number of reflections | 30955 | |
| <I/σ(I)> | 12.5 | 2.9 |
| Completeness [%] | 91.5 | 86.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | pH 7.4 |
