6KXD
The ishigamide ketosynthase/chain length factor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2018-05-02 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 67.603, 67.603, 261.781 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.660 - 1.750 |
| R-factor | 0.1871 |
| Rwork | 0.185 |
| R-free | 0.22590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ls5 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.493 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.660 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.095 | 3.960 |
| Rmeas | 0.096 | 4.015 |
| Rpim | 0.021 | |
| Number of reflections | 67757 | 3869 |
| <I/σ(I)> | 26.9 | |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 39.6 | |
| CC(1/2) | 1.000 | 0.774 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 1.1 M sodium phosphate monobasic, 1.65 M potassium phosphate dibasic, and 0.1 M sodium acetate/acetic acid buffe |
