8IS2
Crystal structure of a polyketide aromatase/cyclase Abx(+)D from Actinomycetes sp. MA7150.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2020-12-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979191 |
| Spacegroup name | P 31 |
| Unit cell lengths | 50.945, 50.945, 74.750 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.050 - 1.320 |
| R-factor | 0.2265 |
| Rwork | 0.224 |
| R-free | 0.27530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.754 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MoRDa |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 1.390 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.026 | 0.380 |
| Number of reflections | 49575 | 7369 |
| <I/σ(I)> | 9.2 | 2.6 |
| Completeness [%] | 97.5 | 98.8 |
| Redundancy | 2.6 | 2.5 |
| CC(1/2) | 0.999 | 0.765 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 8.1 | 293.15 | 0.25 M Hepes, 60% Tacsimate, 0.17 M NDSB-211 |
