5MEX
Sulphotransferase-18 from Arabidopsis thaliana in complex with 3'-phosphoadenosine 5'-phosphate (PAP)and sinigrin
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 | PIXEL |
| Collection date | 2014-05-12 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 63.820, 63.820, 209.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.950 - 1.920 |
| R-factor | 0.17061 |
| Rwork | 0.168 |
| R-free | 0.21701 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q44 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.160 | 2.020 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.065 | 0.543 |
| Number of reflections | 34239 | |
| <I/σ(I)> | 22.68 | 3.21 |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 10.55 | 9.15 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.9 | 291.15 | 0.1 M 2-(N-morpholino) ethanesulfonic acid (MES) pH 5.9, 16% PEG4000, 160 mM NaCl, and 4% 1,3-butanediol |
