5N9X
Structure of adenylation domain THR1 involved in the biosynthesis of 4-chlorothreonine in Streptomyces SP.OH-5093, ligand bound structure
Replaces: 5APBExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9798 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 179.022, 52.524, 110.119 |
| Unit cell angles | 90.00, 105.95, 90.00 |
Refinement procedure
| Resolution | 46.867 - 2.396 |
| R-factor | 0.2031 |
| Rwork | 0.199 |
| R-free | 0.27550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vnq |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.358 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (dev_1647) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.396 | 2.396 |
| Rmerge | 0.100 | 0.240 |
| Number of reflections | 69955 | |
| <I/σ(I)> | 6.4 | 2.39 |
| Completeness [%] | 92.0 | 90.3 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 0,1M HEPES 10% v/v isopropanol 20% w/v PEG4000 |
