8BAR
E. coli C7 DarT1 in complex with ADP-ribosylated ssDNA and nicotinamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-05-06 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.976277 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 61.759, 61.759, 215.039 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.832 - 1.630 |
Rwork | 0.155 |
R-free | 0.17790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7omz |
RMSD bond length | 0.012 |
RMSD bond angle | 1.889 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.740 | 1.660 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.072 | 1.581 |
Rmeas | 0.076 | 1.677 |
Rpim | 0.025 | 0.551 |
Number of reflections | 53204 | 2567 |
<I/σ(I)> | 14 | 1.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9 | 9 |
CC(1/2) | 0.999 | 0.701 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 4.0 M Sodium formate, 0.1 M Tris pH 7.5 |