4Z38
Crystal structure of enoyl reductase domain of MlnA from the macrolactin biosynthesis cluster from Bacillus amyloliquefaciens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00003 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 83.170, 104.670, 216.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 108.050 - 2.800 |
R-factor | 0.2469 |
Rwork | 0.246 |
R-free | 0.26250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2z6j |
RMSD bond length | 0.008 |
RMSD bond angle | 1.000 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 108.050 | 2.920 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.068 | 0.700 |
Number of reflections | 23587 | |
<I/σ(I)> | 18.8 | 1.7 |
Completeness [%] | 99.6 | 99 |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 15 % PEG3350, 0.2 M sodium malonate, pH 7 |