5GK1
Crystal structure of the ketosynthase StlD complexed with substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-11-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9800 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.290, 127.640, 107.890 |
Unit cell angles | 90.00, 91.55, 90.00 |
Refinement procedure
Resolution | 44.930 - 1.830 |
R-factor | 0.2 |
Rwork | 0.198 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5gk0 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.894 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.950 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmerge | 0.057 | 0.625 |
Number of reflections | 148958 | |
<I/σ(I)> | 16 | 2.22 |
Completeness [%] | 99.7 | 99.2 |
Redundancy | 3.43 | 3.38 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 12.5% PEG 4000, 100mM Tris-HCl (pH7.5), 20mM isovaleryl-beta-keto acyl-SNAC |