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 |