1EI6
CRYSTAL STRUCTURE OF PHOSPHONOACETATE HYDROLASE COMPLEXED WITH PHOSPHONOFORMATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 273 |
| Detector technology | AREA DETECTOR |
| Collection date | 1999-10-07 |
| Detector | SIEMENS HI-STAR |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.500, 129.540, 133.380 |
| Unit cell angles | 90.00, 96.90, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.24900 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SOLVE |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.053 | 0.212 |
| Number of reflections | 104741 | |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 90.0 | 81 |
| Redundancy | 2.1 | 1.33 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch | 7 | 298 | PEG 8000, Tartrate, MOPSO,Magnesium chloride, pH 7.0, Batch, temperature 298K |
