5MPT
Structure of the citrinin polyketide synthase CMeT domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-08-22 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.99998 |
Spacegroup name | H 3 |
Unit cell lengths | 98.370, 98.370, 133.430 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 71.804 - 1.648 |
R-factor | 0.1883 |
Rwork | 0.187 |
R-free | 0.21730 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 0.975 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXDE |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 71.804 | 2.100 | 1.690 |
High resolution limit [Å] | 1.648 | 2.050 | 1.648 |
Rmerge | 0.080 | 1.029 | 1.596 |
Number of reflections | 57453 | ||
<I/σ(I)> | 10.61 | 1.38 | 1.37 |
Completeness [%] | 98.9 | 81.7 | 94.3 |
Redundancy | 6.644 | 2.6 | 6.623 |
CC(1/2) | 0.999 | 0.711 | 0.760 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290.15 | 0.1 M BIS-TRIS pH 6.57, 25% (w/v) PEG MME 2K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290.15 | 0.1 M BIS-TRIS pH 6.57, 25% (w/v) PEG MME 2K |
2 | VAPOR DIFFUSION, SITTING DROP | 290.15 | 0.1 M BIS-TRIS pH 6.21, 21.4% (w/v) PEG MME 2K |