1P6B
X-ray structure of phosphotriesterase, triple mutant H254G/H257W/L303T
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 277 |
Detector technology | AREA DETECTOR |
Collection date | 2001-07-10 |
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 - 1.900 |
R-factor | 0.179 |
Rwork | 0.176 |
R-free | 0.23100 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1dpm |
RMSD bond length | 0.012 |
RMSD bond angle | 2.180 |
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 | 1.990 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 60251 | |
<I/σ(I)> | 11.4 | 2.3 |
Completeness [%] | 93.1 | 77.5 |
Redundancy | 2.7 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 9 | 277 | PEG8000, CHES, sodium chloride, diethyl 4-methylbenzylphosphonate, pH 9, batch, temperature 277K |