8JPT
Crystal Structure of the acyltransferase domain from the eighth module of the spinosad 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 | 2021-06-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 196.345, 154.723, 65.209 |
| Unit cell angles | 90.00, 92.09, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.260 |
| R-factor | 0.20079 |
| Rwork | 0.198 |
| R-free | 0.25752 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.090 |
| Data reduction software | HKL-2000 (v718) |
| Data scaling software | HKL-2000 (v718) |
| Phasing software | PHASER (2.7.0) |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.310 |
| High resolution limit [Å] | 3.250 | 8.810 | 3.250 |
| Rmerge | 0.125 | 0.076 | 0.435 |
| Rmeas | 0.149 | 0.091 | 0.519 |
| Rpim | 0.080 | 0.049 | 0.279 |
| Total number of observations | 90970 | ||
| Number of reflections | 29154 | 1407 | 1470 |
| <I/σ(I)> | 4.8 | ||
| Completeness [%] | 96.4 | 90.3 | 97.7 |
| Redundancy | 3.1 | 3.1 | 3.1 |
| CC(1/2) | 0.947 | 0.962 | 0.811 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.1 M citric acid pH 5.0, 0.8 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
