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 |