5MEK
Sulphotransferase-18 from Arabidopsis thaliana in complex with 3'-phosphoadenosine 5'-phosphate (PAP)
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 | 62.740, 62.740, 201.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.990 - 1.740 |
R-factor | 0.16946 |
Rwork | 0.167 |
R-free | 0.20755 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB-ID: 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] | 45.850 | 1.840 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.093 | 0.753 |
Number of reflections | 42500 | |
<I/σ(I)> | 20.44 | 2.65 |
Completeness [%] | 100.0 | 100 |
Redundancy | 21.66 | 22.33 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.9 | 291.15 | 0.1 M MES pH 5.9, 16.5% PEG4000, 160 mM NaCl and 5% 1-propanol |