8R2B
X-ray crystallographic structure of SnoaL2 in complex with the polyketide substrate
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) | 0.87312 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.628, 62.281, 89.814 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.000 - 1.800 |
R-factor | 0.19368 |
Rwork | 0.192 |
R-free | 0.22969 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.777 |
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] | 36.690 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.062 | 0.610 |
Rpim | 0.046 | 0.477 |
Number of reflections | 27685 | 1569 |
<I/σ(I)> | 11.4 | 1.7 |
Completeness [%] | 98.9 | 97.4 |
Redundancy | 4.3 | 4 |
CC(1/2) | 0.998 | 0.670 |
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 |