6DRH
ADP-ribosyltransferase toxin/immunity pair
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
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) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 87.169, 151.006, 196.904 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.535 - 2.299 |
R-factor | 0.1525 |
Rwork | 0.152 |
R-free | 0.20640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dre |
RMSD bond length | 0.015 |
RMSD bond angle | 1.412 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.320 |
High resolution limit [Å] | 2.299 | 2.300 |
Rmerge | 0.119 | 0.492 |
Number of reflections | 115805 | 2853 |
<I/σ(I)> | 9 | 2 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 5.1 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Na2HPO4, 1.6 M citric acid pH 4.2 |