3BFX
Crystal structure of human sulfotransferase SULT1C1 in complex with PAP
Replaces: 2ETGReplaces: 1ZHEExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-07-24 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97972 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 48.824, 40.536, 154.612 |
Unit cell angles | 90.00, 91.83, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.184 |
Rwork | 0.183 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1XV1 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.533 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.042 | 0.205 |
Number of reflections | 54077 | |
<I/σ(I)> | 13.4 | 4 |
Completeness [%] | 95.6 | 70.2 |
Redundancy | 4.7 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 297 | 1.0M Na Citrate, 0.1M Cacodylate, pH 6.5, VAPOR DIFFUSION, temperature 297K |