6SMP
AntDE:AntF (holo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 108.300, 135.940, 148.600 |
Unit cell angles | 90.00, 97.14, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.900 |
R-factor | 0.2236 |
Rwork | 0.222 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6smo |
RMSD bond length | 0.002 |
RMSD bond angle | 0.827 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.097 | 0.543 |
Number of reflections | 92717 | 8962 |
<I/σ(I)> | 11.4 | 2.4 |
Completeness [%] | 97.9 | 98.4 |
Redundancy | 3.1 | |
CC(1/2) | 0.993 | 0.734 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1 M BIS-TRIS, 0.5 M (NH4)2SO4, 30% PEG 3350 |