6FS3
Phosphotriesterase PTE_A53_1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-02-18 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.469, 81.460, 70.710 |
| Unit cell angles | 90.00, 95.12, 90.00 |
Refinement procedure
| Resolution | 23.476 - 1.750 |
| R-factor | 0.1687 |
| Rwork | 0.167 |
| R-free | 0.20080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hyz |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.874 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.480 | 1.813 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.050 | 0.312 |
| Number of reflections | 61867 | 6141 |
| <I/σ(I)> | 9.71 | 2.38 |
| Completeness [%] | 99.7 | 99.05 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.05M HEPES pH=7.5 11% polyacrylic acid 5100 Na salt 0.01M MgCl2 |
