6IYT
Crystal Structure of the acyltransferase domain from second module 14 of salinomycin polyketide synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-26 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 120.818, 78.474, 106.714 |
| Unit cell angles | 90.00, 117.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.780 |
| R-factor | 0.18117 |
| Rwork | 0.179 |
| R-free | 0.21421 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hg4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.054 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.074 | 0.260 |
| Number of reflections | 80596 | 5662 |
| <I/σ(I)> | 17 | 4.2 |
| Completeness [%] | 99.4 | 99.7 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 0.2M potassium acetate pH 8.0, 23% PEG 3350 |
