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 |