4EEC
Crystal Structure of the glycopeptide antibiotic sulfotransferase StaL complexed with A3P and desulfo-A47934.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-08 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.442, 82.583, 123.076 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.2252 |
| Rwork | 0.223 |
| R-free | 0.27220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ovf |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.661 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
| Rmerge | 0.076 | 0.029 | 0.596 |
| Number of reflections | 15536 | ||
| <I/σ(I)> | 13.2 | ||
| Completeness [%] | 99.9 | 97.7 | 100 |
| Redundancy | 5.9 | 5.2 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch, under oil | 8.5 | 295 | 0.5M LiCl, 0.1M Tris pH 8.5, 28% PEG-6K, microbatch, under oil, temperature 295K |
