5W8E
The structure of a CoA-dependent acyl-homoserine lactone synthase, BjaI, with the adduct of SAH and IV-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 | 91.270, 91.270, 98.120 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 1.800 |
R-factor | 0.1966 |
Rwork | 0.196 |
R-free | 0.21709 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.099 |
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] | 1.800 | 1.800 |
Number of reflections | 41676 | |
<I/σ(I)> | 13.7 | |
Completeness [%] | 99.2 | |
Redundancy | 6.7 |
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 |