5WX3
Alkyldiketide-CoA synthase from Evodia rutaecarpa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-02-24 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 164.590, 84.120, 138.670 |
Unit cell angles | 90.00, 124.74, 90.00 |
Refinement procedure
Resolution | 39.737 - 1.801 |
R-factor | 0.1937 |
Rwork | 0.192 |
R-free | 0.22570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wd7 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.899 |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.484 | 47.484 | 1.910 |
High resolution limit [Å] | 1.800 | 5.370 | 1.800 |
Rmerge | 0.051 | 0.023 | 0.477 |
Number of reflections | 142923 | ||
<I/σ(I)> | 17.37 | 51.03 | 2.8 |
Completeness [%] | 99.2 | 98 | 97.8 |
Redundancy | 3.5 | ||
CC(1/2) | 0.999 | 0.999 | 0.848 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | 0.1 M Bis-Tris, 0.2 M Ammonium sulfate, 25%(w/v) PEG3350 |