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 |