6FU6
Phosphotriesterase PTE_C23_2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-05-25 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5415 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.660, 81.160, 70.660 |
| Unit cell angles | 90.00, 94.83, 90.00 |
Refinement procedure
| Resolution | 70.410 - 1.950 |
| R-factor | 0.15849 |
| Rwork | 0.156 |
| R-free | 0.19871 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hyz |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.865 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.410 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.052 | 0.248 |
| Number of reflections | 44881 | 4458 |
| <I/σ(I)> | 11.84 | 3.18 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.05M HEPES pH=7.5 13% Polyacrylic acid 5100 Na 0.01M MgCl2 |
