6MHP
Crystal structure of BaeC acyltransferase from bacillaene polyketide synthase in Bacillus amyloliquefaciens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.069, 50.142, 111.455 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.730 |
R-factor | 0.19953 |
Rwork | 0.198 |
R-free | 0.23034 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rgi |
RMSD bond length | 0.020 |
RMSD bond angle | 1.899 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.074 | 0.713 |
Number of reflections | 27508 | 1347 |
<I/σ(I)> | 35.6 | |
Completeness [%] | 99.6 | 99.3 |
Redundancy | 7 | |
CC(1/2) | 0.819 | 0.819 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2M Ammonium formate, 25% (w/v) PEG 3350 |