5W8C
The structure of a COA-dependent acyl-homoserine lactone synthase, BjaI, with MTA and isovaleryl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2014-02-24 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 90.742, 90.742, 98.393 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 - 1.850 |
| R-factor | 0.1839 |
| Rwork | 0.183 |
| R-free | 0.19422 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.203 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 38415 | |
| <I/σ(I)> | 25.9 | |
| Completeness [%] | 99.9 | |
| Redundancy | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 282 | 3.0 M sodium chloride, 0.085 M HEPES, pH 7.5, 15% v/v glycerol |
