8SAP
Crystal structure of class III lanthipeptide synthetase ThurKC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-30 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.12706 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.296, 230.230, 84.383 |
Unit cell angles | 90.00, 100.62, 90.00 |
Refinement procedure
Resolution | 115.115 - 2.520 |
Rwork | 0.189 |
R-free | 0.25030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.239 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | CRANK2 |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 115.115 | 2.528 |
High resolution limit [Å] | 2.520 | 2.520 |
Rmerge | 0.067 | 0.824 |
Rmeas | 0.075 | |
Number of reflections | 68899 | 698 |
<I/σ(I)> | 12.4 | 2.1 |
Completeness [%] | 98.9 | |
Redundancy | 4.7 | |
CC(1/2) | 0.998 | 0.829 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 282.15 | 18% (w/v) PEG 3350, 100 mM Bis tris propane/ hydrochloric acid pH 7.5, 200 mM sodium fluoride, and 3% 2-propanol |