6G3M
Phosphotriesterase PTE_C23M_4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-02-17 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 69.930, 69.930, 185.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.960 - 1.665 |
| R-factor | 0.15958 |
| Rwork | 0.159 |
| R-free | 0.18018 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hyz |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.420 |
| 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] | 22.960 | 1.724 |
| High resolution limit [Å] | 1.665 | 1.665 |
| Rmerge | 0.028 | 0.209 |
| Number of reflections | 54190 | 5181 |
| <I/σ(I)> | 11.93 | 2.95 |
| Completeness [%] | 98.4 | 96.59 |
| Redundancy | 6.5 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M Tris pH=8 1M (NH4)2SO4 12% Glycerol |
