3UF9
Crystal structure of SsoPox in complex with the phosphotriester fensulfothion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.730, 103.760, 151.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.470 - 2.680 |
| R-factor | 0.24121 |
| Rwork | 0.239 |
| R-free | 0.27541 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vc5 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.731 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 45.471 |
| High resolution limit [Å] | 2.680 |
| Number of reflections | 38674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 277 | 50mM TRIS-HCL PH 8, 23-25% PEG 8000, VAPOR DIFFUSION, temperature 277K |
