6RL5
The first crystal structure of the DABA aminotransferase EctB in the ectoine biosynthesis pathway of the model organism Chromohalobacter salexigens DSM 3034
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-26 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.99187 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 107.055, 124.782, 145.416 |
| Unit cell angles | 90.00, 98.95, 90.00 |
Refinement procedure
| Resolution | 49.073 - 2.450 |
| R-factor | 0.1861 |
| Rwork | 0.185 |
| R-free | 0.24350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sf2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.998 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.073 | 2.490 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rpim | 0.047 | 1.070 |
| Number of reflections | 136967 | 6796 |
| <I/σ(I)> | 10.6 | 0.7 |
| Completeness [%] | 98.9 | 99.6 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M sodium malonate, 0.1M BisTris propane pH 6.5, 30% (w/v) PEG 3350 |
