8SAM
Crystal structure of class III lanthipeptide synthetase LP-GS-ThurKC in complex with ATP
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 | 2021-06-25 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.00798 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.025, 228.659, 84.595 |
| Unit cell angles | 90.00, 100.50, 90.00 |
Refinement procedure
| Resolution | 49.005 - 2.150 |
| Rwork | 0.203 |
| R-free | 0.25050 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.192 |
| 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] | 49.005 | 2.157 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.091 | 1.372 |
| Rmeas | 0.103 | 1.555 |
| Number of reflections | 94386 | 928 |
| <I/σ(I)> | 9.1 | 0.9 |
| Completeness [%] | 86.6 | 82.6 |
| Redundancy | 4.1 | 4.1 |
| CC(1/2) | 0.998 | 0.376 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 282.15 | 0.2 M potassium citrate tribasic monohydrate and 19 % w/v PEG 3350, protein incubated at 18 mg/mL with 3mM ATP and 3mM Magnesium Chloride and soaked for 6 hours with 7 mM ATP and 7 mM Calcium Chloride |
