8CAR
Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979568 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 135.651, 135.651, 335.436 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.110 - 2.680 |
R-factor | 0.2977 |
Rwork | 0.297 |
R-free | 0.33660 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.726 |
Data reduction software | XDS (v2.0) |
Data scaling software | XSCALE (v2.0) |
Phasing software | SHELX (v2019) |
Refinement software | PHENIX (v1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 117.433 | 2.850 |
High resolution limit [Å] | 2.680 | 2.680 |
Rmeas | 0.227 | 0.672 |
Number of reflections | 96250 | 15322 |
<I/σ(I)> | 13.68 | 0.48 |
Completeness [%] | 99.7 | 98.4 |
Redundancy | 20 | 2 |
CC(1/2) | 0.999 | 0.201 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M NPS, 0.1 M buffer system 3 pH 8.5, 30% precipitant mixture 1 (condition C9 from Morpheus screen, Molecular Dimensions, UK) |