3RNL
Crystal Structure of Sulfotransferase from Alicyclobacillus acidocaldarius
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 | 2011-02-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97929 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 72.762, 93.850, 110.738 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.885 - 1.752 |
| R-factor | 0.157 |
| Rwork | 0.156 |
| R-free | 0.18100 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.261 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_690)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 38389 | |
| <I/σ(I)> | 10.8 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.2 M magnesium chloride, 0.1 M MES pH 6.5, 10 %(w/v) PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
