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 |
