1P6C
crystal structure of phosphotriesterase triple mutant H254G/H257W/L303T complexed with diisopropylmethylphosphonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 277 |
| Detector technology | AREA DETECTOR |
| Collection date | 2001-08-10 |
| Detector | SIEMENS HI-STAR |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.400, 91.900, 69.700 |
| Unit cell angles | 90.00, 90.90, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.185 |
| Rwork | 0.181 |
| R-free | 0.24600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1p6b |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.200 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | TNT |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 47394 | |
| <I/σ(I)> | 8 | 1.5 |
| Completeness [%] | 85.3 | 66.7 |
| Redundancy | 1.9 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 9 | 277 | PEG8000, CHES, NaCl, diethyl 4-methylbenzylphosphonate, diisopropylmethylphosphonate, pH 9, batch, temperature 277K |
