6DRE
ADP-ribosyltransferase toxin/immunity pair
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-09-05 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 136.355, 51.036, 94.899 |
| Unit cell angles | 90.00, 123.71, 90.00 |
Refinement procedure
| Resolution | 66.899 - 1.800 |
| R-factor | 0.1527 |
| Rwork | 0.151 |
| R-free | 0.19460 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.081 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.045 | 0.391 |
| Number of reflections | 95211 | 1081 |
| <I/σ(I)> | 33.2 | 2.1 |
| Completeness [%] | 97.3 | 93 |
| Redundancy | 6.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 298 | 0.1 M Na2HPO4, 1.6 M citric acid pH 4.2 |
