5GK0
Crystal structure of selnomethionin-labeled ketosynthase StlD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-06-14 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.9788 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.220, 127.710, 108.020 |
Unit cell angles | 90.00, 91.39, 90.00 |
Refinement procedure
Resolution | 41.730 - 2.331 |
R-factor | 0.1877 |
Rwork | 0.186 |
R-free | 0.22700 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.958 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AutoSol ((1.10.1_2155)) |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.470 |
High resolution limit [Å] | 2.300 | 2.330 |
Rmerge | 0.045 | 0.151 |
Number of reflections | 143308 | |
<I/σ(I)> | 20.32 | 8.03 |
Completeness [%] | 99.3 | 97.9 |
Redundancy | 3.81 | 3.67 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 12.5% PEG 4000, 100mM Tris-HCl (pH7.5) |