5BXX
Crystal structure of the ectoine synthase from the cold-adapted marine bacterium Sphingopyxis alaskensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-19 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.520, 43.960, 138.540 |
| Unit cell angles | 90.00, 101.50, 90.00 |
Refinement procedure
| Resolution | 45.253 - 2.000 |
| R-factor | 0.2065 |
| Rwork | 0.204 |
| R-free | 0.25740 |
| Structure solution method | MIR |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.573 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.300 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.092 | 0.532 |
| Number of reflections | 38862 | |
| <I/σ(I)> | 11.8 | |
| Completeness [%] | 98.7 | |
| Redundancy | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 285 | 0.05 M calcium acetate, 0.1 M sodium acetate pH 4.5, 40% (v/v) 1,2-propanediol, hexanediol |
