3F3Y
Crystal structure of human cytosolic sulfotransferase SULT2A1 in complex with PAP and lithocholic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-09 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.393, 96.179, 159.298 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.238 |
Rwork | 0.236 |
R-free | 0.29900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.416 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.141 | 0.527 |
Number of reflections | 80907 | |
<I/σ(I)> | 4.9 | 2.16 |
Completeness [%] | 97.6 | 85.6 |
Redundancy | 5.1 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 293 | 0.05M Calcium chloride, 18% PEG 3350, 0.1 M Hepes pH 7.0, 10% Ethylene Glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |