8SAO
Crystal structure of class III lanthipeptide synthetase ThurKC in complex with ThurA1 leader peptide
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 | 2019-06-08 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.00385 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.028, 52.899, 233.417 |
| Unit cell angles | 90.00, 95.73, 90.00 |
Refinement procedure
| Resolution | 232.252 - 2.502 |
| Rwork | 0.246 |
| R-free | 0.30720 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.242 |
| 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] | 232.300 | 2.510 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.093 | 0.519 |
| Rmeas | 0.104 | |
| Number of reflections | 66801 | 524 |
| <I/σ(I)> | 9.8 | |
| Completeness [%] | 96.9 | |
| Redundancy | 4.5 | |
| CC(1/2) | 0.995 | 0.727 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 282.15 | 15% glycerol, 16% PEG 6000, 80 mM sodium cacodylate pH 6.5, 160 mM calcium acetate |
