2IOF
Crystal structure of phosphonoacetaldehyde hydrolase with sodium borohydride-reduced substrate intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-10-03 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.56210 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 159.820, 64.020, 98.330 |
| Unit cell angles | 90.00, 123.52, 90.00 |
Refinement procedure
| Resolution | 100.000 - 2.500 |
| R-factor | 0.231 |
| Rwork | 0.231 |
| R-free | 0.29800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.654 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 100.000 |
| High resolution limit [Å] | 2.400 |
| Rmerge | 0.190 |
| Number of reflections | 27942 |
| Completeness [%] | 92.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
