8H6S
Structure of acyltransferase VinK in complex with the loading acyl carrier protein of vicenistatin PKS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-02 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.363, 90.626, 113.511 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.010 - 3.000 |
R-factor | 0.2129 |
Rwork | 0.210 |
R-free | 0.26820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5czd |
RMSD bond length | 0.004 |
RMSD bond angle | 1.350 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.160 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.173 | 0.992 |
Number of reflections | 16764 | 2385 |
<I/σ(I)> | 9.9 | 1.8 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5 | 5.2 |
CC(1/2) | 0.992 | 0.735 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | PEG 4000, magnesium chloride, Tris-HCl, and D-glucose |