6WNS
The structure of a CoA-dependent acyl-homoserine lactone synthase, MesI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2017-04-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 65.673, 65.673, 113.539 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.800 - 1.930 |
Rwork | 0.215 |
R-free | 0.23480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5w8e |
RMSD bond length | 0.018 |
RMSD bond angle | 1.989 |
Data reduction software | HKL-2000 (1.0) |
Data scaling software | XDS (1.0) |
Phasing software | PHASER (1.0) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.800 | 1.930 |
High resolution limit [Å] | 1.930 | 1.930 |
Number of reflections | 19634 | 1329 |
<I/σ(I)> | 37.9 | |
Completeness [%] | 99.8 | |
Redundancy | 20 | |
CC(1/2) | 1.000 | 0.842 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 282 | 0.1 M sodium cacodylate, pH 6.5, 40% v/v MPD, 5% w/v PEG8000 |