8R2E
X-ray crystallographic structure of SnoaL2 in complex with the polyketide reaction product
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2018-11-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.8731 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.960, 62.195, 89.644 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.000 - 2.000 |
R-factor | 0.19673 |
Rwork | 0.195 |
R-free | 0.23821 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.894 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.770 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.092 | 0.736 |
Rpim | 0.070 | 0.583 |
Number of reflections | 19854 | 1348 |
<I/σ(I)> | 9 | 1.5 |
Completeness [%] | 96.7 | 89.7 |
Redundancy | 2.1 | |
CC(1/2) | 0.997 | 0.529 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M MES pH 6.5, 0.2 M MgCl2, 25% PEG3350, ligand at 2 mM |