6SMD
PlMCAT:AntF (holo): type II PKS acyl-carrier protein in complex with its malonyl-transacylase
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 | 2016-06-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.580, 84.600, 158.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 3.300 |
R-factor | 0.2332 |
Rwork | 0.232 |
R-free | 0.27150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2g1h |
RMSD bond length | 0.007 |
RMSD bond angle | 0.981 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.400 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.133 | 0.474 |
Number of reflections | 16593 | 1402 |
<I/σ(I)> | 9.6 | 3.6 |
Completeness [%] | 99.3 | |
Redundancy | 4.7 | |
CC(1/2) | 0.991 | 0.917 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.8 M Na/K-phosphate, 4% polypropylene glycol P400 |