6G1J
Phosphotriesterase PTE_C23M_1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-09-30 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 69.670, 69.670, 186.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.700 - 2.100 |
| R-factor | 0.16569 |
| Rwork | 0.164 |
| R-free | 0.20101 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hyz |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.991 |
| 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] | 29.730 | 2.175 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.022 | 0.074 |
| Number of reflections | 27715 | 2707 |
| <I/σ(I)> | 25.28 | 10.18 |
| Completeness [%] | 99.9 | 100 |
| 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 |
