8R20
X-ray crystallographic structure of KstA15, polyketide biosynthesis enzyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2018-11-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.87313 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.975, 52.751, 108.162 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.610 - 2.100 |
R-factor | 0.18707 |
Rwork | 0.185 |
R-free | 0.23091 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.516 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.610 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.097 | 0.804 |
Rpim | 0.063 | 0.532 |
Number of reflections | 17018 | 1365 |
<I/σ(I)> | 11.4 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.1 | 5.9 |
CC(1/2) | 0.998 | 0.732 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.75 | 293 | 0.1 M Bis-TRIS-Propane pH 7.75, 2.2 M ammonium-sulfate |