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 |