4ZI5
Crystal Structure of Dienelactone Hydrolase-like Promiscuous Phospotriesterase P91 from Metagenomic Libraries
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-29 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91882 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.613, 73.414, 113.057 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.570 - 1.702 |
| R-factor | 0.18385 |
| Rwork | 0.183 |
| R-free | 0.20744 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f67 |
| Data reduction software | XDS ((VERSION January 10) |
| Data scaling software | Aimless ((version 0.3.8)) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.570 | 1.708 |
| High resolution limit [Å] | 1.702 | 1.702 |
| Rmerge | 0.063 | 0.454 |
| Number of reflections | 45156 | |
| <I/σ(I)> | 12.5 | 2 |
| Completeness [%] | 87.6 | 55.6 |
| Redundancy | 3.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 0.1M Tris pH=8.5, 0.2M MgCl2, 20% PEG8000 |
