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 |
