6D0I
ParT: Prs ADP-ribosylating toxin bound to cognate antitoxin ParS. L48M ParT, SeMet-substituted complex.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-20 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.979272 |
Spacegroup name | P 1 |
Unit cell lengths | 41.977, 51.319, 57.941 |
Unit cell angles | 84.68, 73.82, 85.51 |
Refinement procedure
Resolution | 29.030 - 1.550 |
R-factor | 0.1604 |
Rwork | 0.159 |
R-free | 0.19030 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.112 |
Data reduction software | DENZO |
Data scaling software | Aimless (0.5.31) |
Phasing software | MERLOT |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.030 | 29.030 | 1.550 |
High resolution limit [Å] | 1.510 | 6.740 | 1.510 |
Rmerge | 0.116 | 0.097 | 0.682 |
Rmeas | 0.122 | 0.103 | 0.728 |
Rpim | 0.037 | 0.032 | 0.249 |
Total number of observations | 731885 | ||
Number of reflections | 69683 | 802 | 4179 |
<I/σ(I)> | 13.6 | ||
Completeness [%] | 95.5 | 98.6 | 77.8 |
Redundancy | 10.5 | 10.2 | 8.3 |
CC(1/2) | 0.997 | 0.992 | 0.789 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 10% MPD, 100 mM sodium acetate trihydrate |