3CKL
Crystal structure of human cytosolic sulfotransferase SULT1B1 in complex with PAP and resveratrol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.819, 47.613, 92.666 |
| Unit cell angles | 90.00, 93.95, 90.00 |
Refinement procedure
| Resolution | 19.740 - 2.000 |
| R-factor | 0.18418 |
| Rwork | 0.181 |
| R-free | 0.24106 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1XV1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.454 |
| 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] | 50.000 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.077 | 0.545 |
| Number of reflections | 55786 | |
| <I/σ(I)> | 8.3 | 1.09 |
| Completeness [%] | 85.8 | 22.3 |
| Redundancy | 3.4 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 297 | 17% PEG 3350, 0.1M Ammonium sulfate, 0.001M DTT, 0.1M Bis-Tris pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
