4AMP
Crystal Structure of the Acyltransferase Domain of the Iterative Polyketide Synthase in Enediyne Biosynthesis Reveals the Molecular Basis of Substrate Specificity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 287 |
Detector technology | PIXEL |
Collection date | 2011-04-13 |
Detector | DECTRIS PIXEL PILATUS 2M-F |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.714, 66.245, 86.086 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.500 - 1.650 |
R-factor | 0.17552 |
Rwork | 0.174 |
R-free | 0.21335 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4amm |
RMSD bond length | 0.025 |
RMSD bond angle | 2.137 |
Data reduction software | GO.COM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.330 | 1.650 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.070 | 0.520 |
Number of reflections | 45596 | |
<I/σ(I)> | 11.1 | 2.8 |
Completeness [%] | 99.4 | 99.5 |
Redundancy | 4.7 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 0.1M TRIS-CL PH8.0, 30% PEG 6000 |