6FWE
Phosphotriesterase PTE_C23_6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-09-19 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5415 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 69.540, 69.540, 185.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.770 - 1.774 |
| R-factor | 0.15755 |
| Rwork | 0.156 |
| R-free | 0.18655 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hyz |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.394 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.770 | 1.837 |
| High resolution limit [Å] | 1.774 | 1.774 |
| Rmerge | 0.015 | 0.053 |
| Number of reflections | 45149 | 4430 |
| <I/σ(I)> | 30.97 | 12.07 |
| Completeness [%] | 99.9 | 99.91 |
| Redundancy | 20 | 15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M Tris pH=7 1.5M (NH4)2SO4 17% Glycerol |
